<?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">ADF</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">2019</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2019-04-25</scalar>
               </parameter>
               <parameter dictRef="cc:programFlavour">
                  <scalar dataType="xsd:string">x86_64_linux_intel / intelmpi</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:string">Apr17-2024 13:21:32</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="156" startLine="154">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="159" startLine="158">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="167" startLine="161">
                     <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>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">0.34</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.01</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">0.37</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="4">1 2 3 1</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="4">1.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="4"
                            units="nonsi:electronvolt">-6.493 2.471 41.409 11.031</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="4">S S S P</array>
                  </list>
               </module>
               <module cmlx:templateRef="orbital.energies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies">
                     <array dataType="xsd:string" dictRef="cc:irrep" size="4">S S P S</array>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="4">1 2 1 3</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="4">1.00 0.00 0.00 0.00</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="4"
                            units="nonsi:electronvolt">-6.4931 2.4706 11.0309 41.4090</array>
                  </list>
               </module>
               <module cmlx:templateRef="mulliken" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="1">H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="1">-0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="1">1.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="1">0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="1">0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="1">0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:32  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:32  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
               </module>
            </module>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">ADF</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">2019</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2019-04-25</scalar>
               </parameter>
               <parameter dictRef="cc:programFlavour">
                  <scalar dataType="xsd:string">x86_64_linux_intel / intelmpi</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:string">Apr17-2024 13:21:33</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="798" startLine="796">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="801" startLine="800">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="809" startLine="803">
                     <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>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">0.55</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.03</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">0.61</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="11">1 2 3 4 5 1 2 3 4 5 1</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="11">2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="11"
                            units="nonsi:electronvolt">-139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="11">S S S S S P P P P P D</array>
                  </list>
               </module>
               <module cmlx:templateRef="orbital.energies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies">
                     <array dataType="xsd:string" dictRef="cc:irrep" size="11">S P S P P S D P S P S</array>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="11">1 1 2 2 3 3 1 4 4 5 5</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="11">2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="11"
                            units="nonsi:electronvolt">-139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008</array>
                  </list>
               </module>
               <module cmlx:templateRef="mulliken" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="1">Si</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="1">-0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="1">4.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="1">8.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="1">0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="1">0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:32  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:32  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Silicon (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
               </module>
            </module>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">ADF</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">2019</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2019-04-25</scalar>
               </parameter>
               <parameter dictRef="cc:programFlavour">
                  <scalar dataType="xsd:string">x86_64_linux_intel / intelmpi</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:string">Apr17-2024 13:21:34</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="1651" startLine="1649">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="1654" startLine="1653">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="1662" startLine="1656">
                     <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>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">0.67</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.04</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">0.74</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="12">1 2 3 4 5 1 2 3 4 1 2 3</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="12">2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="12"
                            units="nonsi:electronvolt">-64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="12">S S S S S P P P P D D D</array>
                  </list>
               </module>
               <module cmlx:templateRef="orbital.energies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies">
                     <array dataType="xsd:string" dictRef="cc:irrep" size="12">S P S D P S D S P D S P</array>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="12">1 1 2 1 2 3 2 4 3 3 5 4</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="12">2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="12"
                            units="nonsi:electronvolt">-64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456</array>
                  </list>
               </module>
               <module cmlx:templateRef="mulliken" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="1">Mo</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="1">0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="1">3.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="1">6.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="1">5.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="1">0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:32  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:32  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Silicon (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:34  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:34  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Molybdenum (TZP, 3d frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
               </module>
            </module>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">ADF</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">2019</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2019-04-25</scalar>
               </parameter>
               <parameter dictRef="cc:programFlavour">
                  <scalar dataType="xsd:string">x86_64_linux_intel / intelmpi</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:string">Apr17-2024 13:21:35</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="2572" startLine="2570">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="2575" startLine="2574">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="2583" startLine="2577">
                     <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>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">0.42</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.02</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">0.47</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="7">1 2 3 1 2 3 1</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="7">2.000 0.000 0.000 4.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="7"
                            units="nonsi:electronvolt">-24.020 24.654 804.880 -9.089 9.585 104.336 29.005</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="7">S S S P P P D</array>
                  </list>
               </module>
               <module cmlx:templateRef="orbital.energies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies">
                     <array dataType="xsd:string" dictRef="cc:irrep" size="7">S P P S D P S</array>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="7">1 1 2 2 1 3 3</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="7">2.00 4.00 0.00 0.00 0.00 0.00 0.00</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="7"
                            units="nonsi:electronvolt">-24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804</array>
                  </list>
               </module>
               <module cmlx:templateRef="mulliken" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="1">O</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="1">-0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="1">2.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="1">4.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="1">0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="1">0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:32  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:32  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Silicon (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:34  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:34  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Molybdenum (TZP, 3d frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:35  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:35  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Oxygen (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
               </module>
            </module>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">ADF</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">2019</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2019-04-25</scalar>
               </parameter>
               <parameter dictRef="cc:programFlavour">
                  <scalar dataType="xsd:string">x86_64_linux_intel / intelmpi</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:string">Apr17-2024 13:21:36</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
               <parameter dictRef="cc:nodeName">
                  <array dataType="xsd:string" size="28">kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219</array>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="3444" startLine="3442">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="3447" startLine="3446">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="3455" startLine="3449">
                     <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>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">1.19</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.03</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">1.26</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="16">1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="16">2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="16"
                            units="nonsi:electronvolt">-78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="16">S S S S S S P P P P D D D F F F</array>
                  </list>
               </module>
               <module cmlx:templateRef="orbital.energies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies">
                     <array dataType="xsd:string" dictRef="cc:irrep" size="16">S P F S D P S D S P D F S P F S</array>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="16">1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="16">2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="16"
                            units="nonsi:electronvolt">-78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143</array>
                  </list>
               </module>
               <module cmlx:templateRef="mulliken" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="1">W</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="1">-0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="1">4.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="1">6.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="1">4.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="1">14.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:32  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:32  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Silicon (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:34  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:34  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Molybdenum (TZP, 3d frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:35  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:35  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Oxygen (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:36  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:36  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Tungsten (TZP, 4d frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
               </module>
            </module>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">ADF</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">2019</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2019-04-25</scalar>
               </parameter>
               <parameter dictRef="cc:programFlavour">
                  <scalar dataType="xsd:string">x86_64_linux_intel / intelmpi</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:string">Apr17-2024 13:21:38</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</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 id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.0">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.1">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.2">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.3">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.4">TZP</scalar>
               </parameter>
            </parameterList>
            <molecule id="coordinates">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="0.1190"
                        y3="-2.5246"
                        z3="2.5246"/>
                  <atom elementType="O"
                        id="a2"
                        x3="3.9276"
                        y3="-3.9276"
                        z3="-0.2598"/>
                  <atom elementType="W"
                        id="a3"
                        x3="0.1190"
                        y3="2.5246"
                        z3="-2.5246"/>
                  <atom elementType="W"
                        id="a4"
                        x3="-0.1190"
                        y3="2.5246"
                        z3="2.5246"/>
                  <atom elementType="Mo"
                        id="a5"
                        x3="2.5246"
                        y3="-2.5246"
                        z3="0.1190"/>
                  <atom elementType="W"
                        id="a6"
                        x3="2.5246"
                        y3="2.5246"
                        z3="-0.1190"/>
                  <atom elementType="W"
                        id="a7"
                        x3="-2.5246"
                        y3="2.5246"
                        z3="0.1190"/>
                  <atom elementType="O" id="a8" x3="3.9276" y3="3.9276" z3="0.2598"/>
                  <atom elementType="O"
                        id="a9"
                        x3="-3.9276"
                        y3="3.9276"
                        z3="-0.2598"/>
                  <atom elementType="W"
                        id="a10"
                        x3="-2.5246"
                        y3="0.1190"
                        z3="2.5246"/>
                  <atom elementType="W"
                        id="a11"
                        x3="2.5246"
                        y3="-0.1190"
                        z3="2.5246"/>
                  <atom elementType="W"
                        id="a12"
                        x3="2.5246"
                        y3="0.1190"
                        z3="-2.5246"/>
                  <atom elementType="O"
                        id="a13"
                        x3="1.0161"
                        y3="-1.0161"
                        z3="1.0161"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.0161"
                        y3="-1.0161"
                        z3="-1.0161"/>
                  <atom elementType="O"
                        id="a15"
                        x3="1.0161"
                        y3="1.0161"
                        z3="-1.0161"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-1.0161"
                        y3="1.0161"
                        z3="1.0161"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-3.0017"
                        y3="-1.1468"
                        z3="1.1468"/>
                  <atom elementType="O"
                        id="a18"
                        x3="3.0017"
                        y3="-1.1468"
                        z3="-1.1468"/>
                  <atom elementType="O"
                        id="a19"
                        x3="3.9276"
                        y3="0.2598"
                        z3="3.9276"/>
                  <atom elementType="O"
                        id="a20"
                        x3="3.0017"
                        y3="1.1468"
                        z3="1.1468"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.2598"
                        y3="3.9276"
                        z3="3.9276"/>
                  <atom elementType="O"
                        id="a22"
                        x3="1.1468"
                        y3="1.1468"
                        z3="3.0017"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-1.1468"
                        y3="1.1468"
                        z3="-3.0017"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-1.1468"
                        y3="-1.1468"
                        z3="3.0017"/>
                  <atom elementType="O"
                        id="a25"
                        x3="-1.1468"
                        y3="3.0017"
                        z3="-1.1468"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.2598"
                        y3="3.9276"
                        z3="-3.9276"/>
                  <atom elementType="O"
                        id="a27"
                        x3="1.1468"
                        y3="3.0017"
                        z3="1.1468"/>
                  <atom elementType="O"
                        id="a28"
                        x3="1.1468"
                        y3="-3.0017"
                        z3="-1.1468"/>
                  <atom elementType="O"
                        id="a29"
                        x3="3.4220"
                        y3="-1.5167"
                        z3="1.5167"/>
                  <atom elementType="O"
                        id="a30"
                        x3="3.9276"
                        y3="-0.2598"
                        z3="-3.9276"/>
                  <atom elementType="O"
                        id="a31"
                        x3="3.4220"
                        y3="1.5167"
                        z3="-1.5167"/>
                  <atom elementType="O"
                        id="a32"
                        x3="-3.4220"
                        y3="1.5167"
                        z3="1.5167"/>
                  <atom elementType="O"
                        id="a33"
                        x3="1.5167"
                        y3="-1.5167"
                        z3="3.4220"/>
                  <atom elementType="O"
                        id="a34"
                        x3="1.5167"
                        y3="1.5167"
                        z3="-3.4220"/>
                  <atom elementType="O"
                        id="a35"
                        x3="-1.5167"
                        y3="1.5167"
                        z3="3.4220"/>
                  <atom elementType="Si"
                        id="a36"
                        x3="0.0000"
                        y3="0.0000"
                        z3="0.0000"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-3.9276"
                        y3="-0.2598"
                        z3="3.9276"/>
                  <atom elementType="O"
                        id="a38"
                        x3="-1.5167"
                        y3="3.4220"
                        z3="1.5167"/>
                  <atom elementType="O"
                        id="a39"
                        x3="1.5167"
                        y3="-3.4220"
                        z3="1.5167"/>
                  <atom elementType="O"
                        id="a40"
                        x3="1.5167"
                        y3="3.4220"
                        z3="-1.5167"/>
                  <atom elementType="O"
                        id="a41"
                        x3="-0.2598"
                        y3="-3.9276"
                        z3="3.9276"/>
                  <atom elementType="H"
                        id="a42"
                        x3="-1.7884"
                        y3="1.5933"
                        z3="-3.6087"/>
                  <atom elementType="H"
                        id="a43"
                        x3="-3.5622"
                        y3="-1.8214"
                        z3="1.6059"/>
                  <atom elementType="H"
                        id="a44"
                        x3="1.2634"
                        y3="-3.9739"
                        z3="-1.2923"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a1 a41" order="S"/>
                  <bond atomRefs2="a1 a33" order="S"/>
                  <bond atomRefs2="a1 a39" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a25" order="S"/>
                  <bond atomRefs2="a3 a26" order="S"/>
                  <bond atomRefs2="a3 a23" order="S"/>
                  <bond atomRefs2="a3 a40" order="S"/>
                  <bond atomRefs2="a3 a34" order="S"/>
                  <bond atomRefs2="a4 a21" order="S"/>
                  <bond atomRefs2="a4 a38" order="S"/>
                  <bond atomRefs2="a4 a35" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
                  <bond atomRefs2="a4 a22" order="S"/>
                  <bond atomRefs2="a5 a29" order="S"/>
                  <bond atomRefs2="a5 a39" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a28" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a40" order="S"/>
                  <bond atomRefs2="a6 a31" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a7 a32" order="S"/>
                  <bond atomRefs2="a7 a38" order="S"/>
                  <bond atomRefs2="a7 a25" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a10 a32" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a10 a37" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a10 a35" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a22" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a12 a31" order="S"/>
                  <bond atomRefs2="a12 a34" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a30" order="S"/>
                  <bond atomRefs2="a13 a36" order="S"/>
                  <bond atomRefs2="a14 a36" order="S"/>
                  <bond atomRefs2="a15 a36" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a17 a43" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
               </bondArray>
               <formula concise="H3MoO31SiW8"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2090.726899999998</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-3/rH3MoO27W8.O4Si/c2-1(3)14-29(4)17-32(7,8)19-31(6)20-33(9,10)18-30(5,15-1)22-35(12,24-33)26-34(11,16-1,21-29)27-36(13,23-31,25-32)28-35;1-5(2,3)4/h2,7,9H;">
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               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="4608" startLine="4606">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="4612" startLine="4610">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="4621" startLine="4614">
                     <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 cmlx:templateRef="solvation" dictRef="cc:userDefinedModule">
                  <list id="cosmo">
                     <scalar dataType="xsd:integer" dictRef="a:ndiv">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:nfdiv">1</scalar>
                     <scalar dataType="xsd:double" dictRef="a:rsol" units="nonsi:angstrom">1.93000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:epsl">78.39000</scalar>
                     <scalar dataType="xsd:string" dictRef="a:cosmomethod">conjugate-gradient</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ncix">1000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ccnv">1.0E-08</scalar>
                     <scalar dataType="xsd:double" dictRef="a:gdsf">0.00000</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="fragment.files" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="W" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.W</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Apr17-2024 13:21:36</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Tungsten</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">4d</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="O" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.O</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Apr17-2024 13:21:35</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Oxygen</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">1s</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="Mo" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.Mo</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Apr17-2024 13:21:34</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Molybdenum</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">3d</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="Si" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.Si</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Apr17-2024 13:21:33</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Silicon</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">1s</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="H" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.H</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Apr17-2024 13:21:32</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Hydrogen</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                        </atom>
                     </list>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">1</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">1</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.54210531</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.24028393</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10227786</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.24028393</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10227786</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.17946214</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05621125</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.160138"
                                 y3="-2.485695"
                                 z3="2.559042"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.784928"
                                 y3="-3.816585"
                                 z3="-0.233272"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.108767"
                                 y3="2.502812"
                                 z3="-2.516628"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.101488"
                                 y3="2.508693"
                                 z3="2.543899"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.506605"
                                 y3="-2.518884"
                                 z3="0.113133"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.507716"
                                 y3="2.541566"
                                 z3="-0.103628"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.485459"
                                 y3="2.560456"
                                 z3="0.161328"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.778496"
                                 y3="3.835977"
                                 z3="0.236617"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.748138"
                                 y3="3.847982"
                                 z3="-0.181936"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.516674"
                                 y3="0.112389"
                                 z3="2.505494"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.543381"
                                 y3="-0.102547"
                                 z3="2.509535"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.555444"
                                 y3="0.157399"
                                 z3="-2.486814"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.000337"
                                 y3="-0.980207"
                                 z3="1.005981"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.962298"
                                 y3="-0.962986"
                                 z3="-0.965956"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.001564"
                                 y3="0.998692"
                                 z3="-0.981734"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.981938"
                                 y3="1.003868"
                                 z3="1.000566"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.018545"
                                 y3="-1.10611"
                                 z3="1.107702"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.968707"
                                 y3="-1.117369"
                                 z3="-1.153742"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.838751"
                                 y3="0.23848"
                                 z3="3.780515"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.998723"
                                 y3="1.163863"
                                 z3="1.143079"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.24092"
                                 y3="3.778931"
                                 z3="3.838319"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.164998"
                                 y3="1.144024"
                                 z3="2.999036"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.112089"
                                 y3="1.105297"
                                 z3="-3.013882"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.118118"
                                 y3="-1.150581"
                                 z3="2.973299"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.152072"
                                 y3="2.973596"
                                 z3="-1.116894"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.250232"
                                 y3="3.775131"
                                 z3="-3.797489"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.143653"
                                 y3="2.997833"
                                 z3="1.164517"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.113793"
                                 y3="-3.001554"
                                 z3="-1.125671"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.419101"
                                 y3="-1.496267"
                                 z3="1.494542"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.842298"
                                 y3="-0.185736"
                                 z3="-3.750847"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.42551"
                                 y3="1.538139"
                                 z3="-1.513223"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.393189"
                                 y3="1.532708"
                                 z3="1.493943"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.540684"
                                 y3="-1.511854"
                                 z3="3.429426"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.527411"
                                 y3="1.490387"
                                 z3="-3.394512"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.496689"
                                 y3="1.489161"
                                 z3="3.417056"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.017304"
                                 y3="-0.019425"
                                 z3="-0.015678"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.796587"
                                 y3="-0.246258"
                                 z3="3.779254"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.510983"
                                 y3="3.428613"
                                 z3="1.541717"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.490151"
                                 y3="-3.398601"
                                 z3="1.537834"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.487014"
                                 y3="3.414203"
                                 z3="-1.498357"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.185953"
                                 y3="-3.749804"
                                 z3="3.845384"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.771548"
                                 y3="1.498992"
                                 z3="-3.63237"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.592909"
                                 y3="-1.79798"
                                 z3="1.512096"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.196623"
                                 y3="-3.972047"
                                 z3="-1.28508"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-3/rH3MoO27W8.O4Si/c2-1(3)14-29(4)17-32(7,8)19-31(6)20-33(9,10)18-30(5,15-1)22-35(12,24-33)26-34(11,16-1,21-29)27-36(13,23-31,25-32)28-35;1-5(2,3)4/h2,7,9H;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.1601,-2.4857,2.559;3.7849,-3.8166,-.2333;.1088,2.5028,-2.5166;-.1015,2.5087,2.5439;2.5066,-2.5189,.1131;2.5077,2.5416,-.1036;-2.4855,2.5605,.1613;3.7785,3.836,.2366;-3.7481,3.848,-.1819;-2.5167,.1124,2.5055;2.5434,-.1025,2.5095;2.5554,.1574,-2.4868;1.0003,-.9802,1.006;-.9623,-.963,-.966;1.0016,.9987,-.9817;-.9819,1.0039,1.0006;-3.0185,-1.1061,1.1077;2.9687,-1.1174,-1.1537;3.8388,.2385,3.7805;2.9987,1.1639,1.1431;.2409,3.7789,3.8383;1.165,1.144,2.999;-1.1121,1.1053,-3.0139;-1.1181,-1.1506,2.9733;-1.1521,2.9736,-1.1169;-.2502,3.7751,-3.7975;1.1437,2.9978,1.1645;1.1138,-3.0016,-1.1257;3.4191,-1.4963,1.4945;3.8423,-.1857,-3.7508;3.4255,1.5381,-1.5132;-3.3932,1.5327,1.4939;1.5407,-1.5119,3.4294;1.5274,1.4904,-3.3945;-1.4967,1.4892,3.4171;-.0173,-.0194,-.0157;-3.7966,-.2463,3.7793;-1.511,3.4286,1.5417;1.4902,-3.3986,1.5378;1.487,3.4142,-1.4984;-.186,-3.7498,3.8454;-1.7715,1.499,-3.6324;-3.5929,-1.798,1.5121;1.1966,-3.972,-1.2851;/R:/0/N:5,28,2,41,30,9,17,37,23,26,19,8,21,39,18,29,24,34,32,25,33,31,38,40,35,20,22,27,1,12,7,10,3,11,6,4;13,14,15,16,36/E:;(1,2,3,4)/CRV:3.1,4.1,5.1,6.1,8.1,10.1,11.1,12.1,13.1;1.1,2.1,3.1,4.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">2</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">2</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.95743790</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.16841927</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06678787</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.16841927</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06678787</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.29935690</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09442403</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.262361"
                                 y3="-2.420858"
                                 z3="2.643617"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.517167"
                                 y3="-3.633241"
                                 z3="-0.191153"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.092047"
                                 y3="2.459104"
                                 z3="-2.522385"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.081464"
                                 y3="2.486878"
                                 z3="2.590652"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.466865"
                                 y3="-2.530788"
                                 z3="0.10124"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.483571"
                                 y3="2.585703"
                                 z3="-0.086948"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.420401"
                                 y3="2.646187"
                                 z3="0.266501"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.535421"
                                 y3="3.698781"
                                 z3="0.190645"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.448781"
                                 y3="3.747835"
                                 z3="-0.036689"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.522165"
                                 y3="0.101644"
                                 z3="2.468052"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.589072"
                                 y3="-0.084703"
                                 z3="2.486036"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.635069"
                                 y3="0.256235"
                                 z3="-2.422453"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.971778"
                                 y3="-0.923517"
                                 z3="0.996427"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.894747"
                                 y3="-0.903606"
                                 z3="-0.897417"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.985248"
                                 y3="0.967645"
                                 z3="-0.926344"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.927493"
                                 y3="0.990254"
                                 z3="0.972646"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.055684"
                                 y3="-1.064132"
                                 z3="1.043466"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.894849"
                                 y3="-1.07425"
                                 z3="-1.158655"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.704707"
                                 y3="0.194497"
                                 z3="3.537228"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.010808"
                                 y3="1.191313"
                                 z3="1.133557"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.200753"
                                 y3="3.538505"
                                 z3="3.70278"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.194334"
                                 y3="1.137211"
                                 z3="3.012222"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.078393"
                                 y3="1.034821"
                                 z3="-3.045572"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.073424"
                                 y3="-1.151966"
                                 z3="2.90781"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.157315"
                                 y3="2.906526"
                                 z3="-1.070218"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.236649"
                                 y3="3.511735"
                                 z3="-3.600831"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.135765"
                                 y3="3.009738"
                                 z3="1.192592"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.046625"
                                 y3="-3.030592"
                                 z3="-1.094795"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.425425"
                                 y3="-1.492874"
                                 z3="1.458028"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.735051"
                                 y3="-0.04855"
                                 z3="-3.454039"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.47478"
                                 y3="1.60563"
                                 z3="-1.513875"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.389577"
                                 y3="1.571207"
                                 z3="1.467576"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.612477"
                                 y3="-1.511637"
                                 z3="3.48252"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.558637"
                                 y3="1.457741"
                                 z3="-3.392175"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.491651"
                                 y3="1.455048"
                                 z3="3.425115"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.050757"
                                 y3="-0.056408"
                                 z3="-0.046259"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.598225"
                                 y3="-0.226343"
                                 z3="3.524436"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.508984"
                                 y3="3.482269"
                                 z3="1.612899"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.45538"
                                 y3="-3.401599"
                                 z3="1.579395"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.447711"
                                 y3="3.417673"
                                 z3="-1.495888"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.047229"
                                 y3="-3.452523"
                                 z3="3.743132"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.754091"
                                 y3="1.329123"
                                 z3="-3.691959"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.665574"
                                 y3="-1.769461"
                                 z3="1.345785"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.1002"
                                 y3="-3.987556"
                                 z3="-1.311103"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-3/rH3MoO27W8.O4Si/c2-1(3)14-29(4)17-32(7,8)19-31(6)20-33(9,10)18-30(5,15-1)22-35(12,24-33)26-34(11,16-1,21-29)27-36(13,23-31,25-32)28-35;1-5(2,3)4/h2,7,9H;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.2624,-2.4209,2.6436;3.5172,-3.6332,-.1912;.092,2.4591,-2.5224;-.0815,2.4869,2.5907;2.4669,-2.5308,.1012;2.4836,2.5857,-.0869;-2.4204,2.6462,.2665;3.5354,3.6988,.1906;-3.4488,3.7478,-.0367;-2.5222,.1016,2.4681;2.5891,-.0847,2.486;2.6351,.2562,-2.4225;.9718,-.9235,.9964;-.8947,-.9036,-.8974;.9852,.9676,-.9263;-.9275,.9903,.9726;-3.0557,-1.0641,1.0435;2.8948,-1.0742,-1.1587;3.7047,.1945,3.5372;3.0108,1.1913,1.1336;.2008,3.5385,3.7028;1.1943,1.1372,3.0122;-1.0784,1.0348,-3.0456;-1.0734,-1.152,2.9078;-1.1573,2.9065,-1.0702;-.2366,3.5117,-3.6008;1.1358,3.0097,1.1926;1.0466,-3.0306,-1.0948;3.4254,-1.4929,1.458;3.7351,-.0486,-3.454;3.4748,1.6056,-1.5139;-3.3896,1.5712,1.4676;1.6125,-1.5116,3.4825;1.5586,1.4577,-3.3922;-1.4917,1.455,3.4251;-.0508,-.0564,-.0463;-3.5982,-.2263,3.5244;-1.509,3.4823,1.6129;1.4554,-3.4016,1.5794;1.4477,3.4177,-1.4959;-.0472,-3.4525,3.7431;-1.7541,1.3291,-3.692;-3.6656,-1.7695,1.3458;1.1002,-3.9876,-1.3111;/R:/0/N:5,28,2,41,30,9,17,37,23,26,19,8,21,39,18,29,24,34,32,25,33,31,38,40,35,20,22,27,1,12,7,10,3,11,6,4;13,14,15,16,36/E:;(1,2,3,4)/CRV:3.1,4.1,5.1,6.1,8.1,10.1,11.1,12.1,13.1;1.1,2.1,3.1,4.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">3</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">3</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-12.75562382</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.39589552</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.19261243</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.39589552</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.19261243</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.18792462</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05999534</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.235779"
                                 y3="-2.443768"
                                 z3="2.629735"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.663004"
                                 y3="-3.778088"
                                 z3="-0.227928"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.09392"
                                 y3="2.463681"
                                 z3="-2.528595"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.089297"
                                 y3="2.486592"
                                 z3="2.58391"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.472236"
                                 y3="-2.5353"
                                 z3="0.10248"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.484613"
                                 y3="2.579183"
                                 z3="-0.094603"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.443256"
                                 y3="2.630627"
                                 z3="0.238757"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.6795"
                                 y3="3.838581"
                                 z3="0.22371"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.636706"
                                 y3="3.884305"
                                 z3="-0.108203"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.527905"
                                 y3="0.101377"
                                 z3="2.472234"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.583214"
                                 y3="-0.092428"
                                 z3="2.487028"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.622172"
                                 y3="0.229417"
                                 z3="-2.445346"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.981294"
                                 y3="-0.946707"
                                 z3="1.003241"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.948324"
                                 y3="-0.955822"
                                 z3="-0.950016"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.993765"
                                 y3="0.976516"
                                 z3="-0.948472"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.948968"
                                 y3="0.997192"
                                 z3="0.981445"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.055245"
                                 y3="-1.083423"
                                 z3="1.054709"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.917074"
                                 y3="-1.100782"
                                 z3="-1.159038"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.843878"
                                 y3="0.227965"
                                 z3="3.680455"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.011669"
                                 y3="1.187022"
                                 z3="1.130326"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.233739"
                                 y3="3.681331"
                                 z3="3.842268"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.190361"
                                 y3="1.132725"
                                 z3="3.012819"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.095112"
                                 y3="1.046303"
                                 z3="-3.04638"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.099121"
                                 y3="-1.154271"
                                 z3="2.927194"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.15809"
                                 y3="2.925062"
                                 z3="-1.097283"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.272807"
                                 y3="3.671644"
                                 z3="-3.759948"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.13235"
                                 y3="3.009897"
                                 z3="1.188207"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.058105"
                                 y3="-3.032636"
                                 z3="-1.107981"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.426624"
                                 y3="-1.504196"
                                 z3="1.464454"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.873649"
                                 y3="-0.118727"
                                 z3="-3.640722"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.467923"
                                 y3="1.602202"
                                 z3="-1.512599"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.403829"
                                 y3="1.549411"
                                 z3="1.468218"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.609481"
                                 y3="-1.510647"
                                 z3="3.47462"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.539585"
                                 y3="1.458766"
                                 z3="-3.40629"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.502752"
                                 y3="1.460618"
                                 z3="3.425364"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.041241"
                                 y3="-0.046827"
                                 z3="-0.037584"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.756055"
                                 y3="-0.264274"
                                 z3="3.683877"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.507661"
                                 y3="3.473503"
                                 z3="1.609283"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.458259"
                                 y3="-3.414213"
                                 z3="1.55693"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.455131"
                                 y3="3.418277"
                                 z3="-1.507106"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.116901"
                                 y3="-3.638241"
                                 z3="3.880768"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.757297"
                                 y3="1.373799"
                                 z3="-3.694191"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.666188"
                                 y3="-1.775118"
                                 z3="1.391549"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.132929"
                                 y3="-3.991826"
                                 z3="-1.315696"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-3/rH3MoO27W8.O4Si/c2-1(3)14-29(4)17-32(7,8)19-31(6)20-33(9,10)18-30(5,15-1)22-35(12,24-33)26-34(11,16-1,21-29)27-36(13,23-31,25-32)28-35;1-5(2,3)4/h2,7,9H;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.2358,-2.4438,2.6297;3.663,-3.7781,-.2279;.0939,2.4637,-2.5286;-.0893,2.4866,2.5839;2.4722,-2.5353,.1025;2.4846,2.5792,-.0946;-2.4433,2.6306,.2388;3.6795,3.8386,.2237;-3.6367,3.8843,-.1082;-2.5279,.1014,2.4722;2.5832,-.0924,2.487;2.6222,.2294,-2.4453;.9813,-.9467,1.0032;-.9483,-.9558,-.95;.9938,.9765,-.9485;-.949,.9972,.9814;-3.0552,-1.0834,1.0547;2.9171,-1.1008,-1.159;3.8439,.228,3.6805;3.0117,1.187,1.1303;.2337,3.6813,3.8423;1.1904,1.1327,3.0128;-1.0951,1.0463,-3.0464;-1.0991,-1.1543,2.9272;-1.1581,2.9251,-1.0973;-.2728,3.6716,-3.7599;1.1323,3.0099,1.1882;1.0581,-3.0326,-1.108;3.4266,-1.5042,1.4645;3.8736,-.1187,-3.6407;3.4679,1.6022,-1.5126;-3.4038,1.5494,1.4682;1.6095,-1.5106,3.4746;1.5396,1.4588,-3.4063;-1.5028,1.4606,3.4254;-.0412,-.0468,-.0376;-3.7561,-.2643,3.6839;-1.5077,3.4735,1.6093;1.4583,-3.4142,1.5569;1.4551,3.4183,-1.5071;-.1169,-3.6382,3.8808;-1.7573,1.3738,-3.6942;-3.6662,-1.7751,1.3915;1.1329,-3.9918,-1.3157;/R:/0/N:5,28,2,41,30,9,17,37,23,26,19,8,21,39,18,29,24,34,32,25,33,31,38,40,35,20,22,27,1,12,7,10,3,11,6,4;13,14,15,16,36/E:;(1,2,3,4)/CRV:3.1,4.1,5.1,6.1,8.1,10.1,11.1,12.1,13.1;1.1,2.1,3.1,4.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">4</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">4</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.08793229</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09326250</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03106989</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09326250</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03106989</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07800512</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03010752</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 x3="0.285914"
                                 y3="-2.411482"
                                 z3="2.677187"/>
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                                 y3="-3.772016"
                                 z3="-0.237352"/>
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                                 z3="-2.53677"/>
                           <atom elementType="W"
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                                 x3="-0.080873"
                                 y3="2.471218"
                                 z3="2.612767"/>
                           <atom elementType="Mo"
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                                 x3="2.439933"
                                 y3="-2.547159"
                                 z3="0.091588"/>
                           <atom elementType="W"
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                                 x3="2.467914"
                                 y3="2.606823"
                                 z3="-0.087751"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.411779"
                                 y3="2.676886"
                                 z3="0.290175"/>
                           <atom elementType="O"
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                                 x3="3.623541"
                                 y3="3.855576"
                                 z3="0.219466"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.562954"
                                 y3="3.918659"
                                 z3="-0.065114"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.536164"
                                 y3="0.090157"
                                 z3="2.441311"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.61142"
                                 y3="-0.084708"
                                 z3="2.470903"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.666632"
                                 y3="0.277776"
                                 z3="-2.413815"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.972267"
                                 y3="-0.926538"
                                 z3="1.010393"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.945914"
                                 y3="-0.956287"
                                 z3="-0.943654"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.996968"
                                 y3="0.966221"
                                 z3="-0.928413"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.929823"
                                 y3="1.001487"
                                 z3="0.973125"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.067139"
                                 y3="-1.079228"
                                 z3="1.017029"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.8768"
                                 y3="-1.092818"
                                 z3="-1.160815"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.86216"
                                 y3="0.226115"
                                 z3="3.624183"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.02358"
                                 y3="1.203048"
                                 z3="1.121613"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.232567"
                                 y3="3.627275"
                                 z3="3.859589"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.206958"
                                 y3="1.125465"
                                 z3="3.025952"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.094897"
                                 y3="1.004407"
                                 z3="-3.05539"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.090476"
                                 y3="-1.154529"
                                 z3="2.889342"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.160723"
                                 y3="2.88518"
                                 z3="-1.087728"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.296253"
                                 y3="3.599658"
                                 z3="-3.745848"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.124225"
                                 y3="3.022184"
                                 z3="1.204102"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.015551"
                                 y3="-3.046021"
                                 z3="-1.103075"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.425036"
                                 y3="-1.514142"
                                 z3="1.445438"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.905533"
                                 y3="-0.079832"
                                 z3="-3.567867"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.496347"
                                 y3="1.646897"
                                 z3="-1.503393"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.413691"
                                 y3="1.554173"
                                 z3="1.440685"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.656782"
                                 y3="-1.500571"
                                 z3="3.505233"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.541057"
                                 y3="1.427369"
                                 z3="-3.41611"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.512166"
                                 y3="1.443568"
                                 z3="3.424768"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.048408"
                                 y3="-0.055458"
                                 z3="-0.042485"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.74141"
                                 y3="-0.284101"
                                 z3="3.617224"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.497063"
                                 y3="3.503849"
                                 z3="1.655455"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.425093"
                                 y3="-3.426787"
                                 z3="1.563678"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.434931"
                                 y3="3.415019"
                                 z3="-1.517643"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.077511"
                                 y3="-3.564112"
                                 z3="3.916189"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.753353"
                                 y3="1.295794"
                                 z3="-3.722717"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.701782"
                                 y3="-1.765121"
                                 z3="1.317643"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.097285"
                                 y3="-3.993788"
                                 z3="-1.353498"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-3/rH3MoO27W8.O4Si/c2-1(3)14-29(4)17-32(7,8)19-31(6)20-33(9,10)18-30(5,15-1)22-35(12,24-33)26-34(11,16-1,21-29)27-36(13,23-31,25-32)28-35;1-5(2,3)4/h2,7,9H;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.2859,-2.4115,2.6772;3.5875,-3.772,-.2374;.0799,2.4286,-2.5368;-.0809,2.4712,2.6128;2.4399,-2.5472,.0916;2.4679,2.6068,-.0878;-2.4118,2.6769,.2902;3.6235,3.8556,.2195;-3.563,3.9187,-.0651;-2.5362,.0902,2.4413;2.6114,-.0847,2.4709;2.6666,.2778,-2.4138;.9723,-.9265,1.0104;-.9459,-.9563,-.9437;.997,.9662,-.9284;-.9298,1.0015,.9731;-3.0671,-1.0792,1.017;2.8768,-1.0928,-1.1608;3.8622,.2261,3.6242;3.0236,1.203,1.1216;.2326,3.6273,3.8596;1.207,1.1255,3.026;-1.0949,1.0044,-3.0554;-1.0905,-1.1545,2.8893;-1.1607,2.8852,-1.0877;-.2963,3.5997,-3.7458;1.1242,3.0222,1.2041;1.0156,-3.046,-1.1031;3.425,-1.5141,1.4454;3.9055,-.0798,-3.5679;3.4963,1.6469,-1.5034;-3.4137,1.5542,1.4407;1.6568,-1.5006,3.5052;1.5411,1.4274,-3.4161;-1.5122,1.4436,3.4248;-.0484,-.0555,-.0425;-3.7414,-.2841,3.6172;-1.4971,3.5038,1.6555;1.4251,-3.4268,1.5637;1.4349,3.415,-1.5176;-.0775,-3.5641,3.9162;-1.7534,1.2958,-3.7227;-3.7018,-1.7651,1.3176;1.0973,-3.9938,-1.3535;/R:/0/N:5,28,2,41,30,9,17,37,23,26,19,8,21,39,18,29,24,34,32,25,33,31,38,40,35,20,22,27,1,12,7,10,3,11,6,4;13,14,15,16,36/E:;(1,2,3,4)/CRV:3.1,4.1,5.1,6.1,8.1,10.1,11.1,12.1,13.1;1.1,2.1,3.1,4.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">5</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">5</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.11892769</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03965908</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01229712</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03965908</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01229712</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04352421</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01869132</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.317384"
                                 y3="-2.387002"
                                 z3="2.705965"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.548767"
                                 y3="-3.780496"
                                 z3="-0.245726"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.068623"
                                 y3="2.402924"
                                 z3="-2.542209"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.074325"
                                 y3="2.458228"
                                 z3="2.634057"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.416736"
                                 y3="-2.555041"
                                 z3="0.083289"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.453938"
                                 y3="2.626837"
                                 z3="-0.082256"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.388823"
                                 y3="2.703649"
                                 z3="0.322424"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.591873"
                                 y3="3.876765"
                                 z3="0.21913"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.521307"
                                 y3="3.939342"
                                 z3="-0.047709"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.542031"
                                 y3="0.081036"
                                 z3="2.419425"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.632151"
                                 y3="-0.078338"
                                 z3="2.458026"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.692409"
                                 y3="0.307521"
                                 z3="-2.390631"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.969627"
                                 y3="-0.913825"
                                 z3="1.018959"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.943893"
                                 y3="-0.95764"
                                 z3="-0.938284"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.001522"
                                 y3="0.962435"
                                 z3="-0.915929"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.918461"
                                 y3="1.00679"
                                 z3="0.971239"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.075313"
                                 y3="-1.083646"
                                 z3="0.997521"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.85063"
                                 y3="-1.089457"
                                 z3="-1.161765"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.884866"
                                 y3="0.227985"
                                 z3="3.592718"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.03242"
                                 y3="1.214546"
                                 z3="1.115104"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.234524"
                                 y3="3.597132"
                                 z3="3.881291"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.218873"
                                 y3="1.119824"
                                 z3="3.036197"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.10254"
                                 y3="0.981292"
                                 z3="-3.060932"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.086906"
                                 y3="-1.154486"
                                 z3="2.864397"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.162822"
                                 y3="2.858137"
                                 z3="-1.08326"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.310779"
                                 y3="3.559956"
                                 z3="-3.743735"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.117722"
                                 y3="3.031149"
                                 z3="1.215536"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.991136"
                                 y3="-3.05488"
                                 z3="-1.104642"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.420375"
                                 y3="-1.522336"
                                 z3="1.435531"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.924775"
                                 y3="-0.065391"
                                 z3="-3.526599"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.515012"
                                 y3="1.676624"
                                 z3="-1.493192"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.419373"
                                 y3="1.554485"
                                 z3="1.417169"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.688877"
                                 y3="-1.48918"
                                 z3="3.526345"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.5387"
                                 y3="1.40021"
                                 z3="-3.421384"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.520183"
                                 y3="1.434805"
                                 z3="3.420959"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.048901"
                                 y3="-0.056963"
                                 z3="-0.040734"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.739556"
                                 y3="-0.296002"
                                 z3="3.581895"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.485729"
                                 y3="3.523955"
                                 z3="1.686434"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.396367"
                                 y3="-3.433477"
                                 z3="1.566103"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.423659"
                                 y3="3.408721"
                                 z3="-1.52624"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.062524"
                                 y3="-3.520588"
                                 z3="3.93913"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.752724"
                                 y3="1.252842"
                                 z3="-3.74402"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.72906"
                                 y3="-1.759342"
                                 z3="1.278501"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.087786"
                                 y3="-3.990403"
                                 z3="-1.392498"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-3/rH3MoO27W8.O4Si/c2-1(3)14-29(4)17-32(7,8)19-31(6)20-33(9,10)18-30(5,15-1)22-35(12,24-33)26-34(11,16-1,21-29)27-36(13,23-31,25-32)28-35;1-5(2,3)4/h2,7,9H;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3174,-2.387,2.706;3.5488,-3.7805,-.2457;.0686,2.4029,-2.5422;-.0743,2.4582,2.6341;2.4167,-2.555,.0833;2.4539,2.6268,-.0823;-2.3888,2.7036,.3224;3.5919,3.8768,.2191;-3.5213,3.9393,-.0477;-2.542,.081,2.4194;2.6322,-.0783,2.458;2.6924,.3075,-2.3906;.9696,-.9138,1.019;-.9439,-.9576,-.9383;1.0015,.9624,-.9159;-.9185,1.0068,.9712;-3.0753,-1.0836,.9975;2.8506,-1.0895,-1.1618;3.8849,.228,3.5927;3.0324,1.2145,1.1151;.2345,3.5971,3.8813;1.2189,1.1198,3.0362;-1.1025,.9813,-3.0609;-1.0869,-1.1545,2.8644;-1.1628,2.8581,-1.0833;-.3108,3.56,-3.7437;1.1177,3.0311,1.2155;.9911,-3.0549,-1.1046;3.4204,-1.5223,1.4355;3.9248,-.0654,-3.5266;3.515,1.6766,-1.4932;-3.4194,1.5545,1.4172;1.6889,-1.4892,3.5263;1.5387,1.4002,-3.4214;-1.5202,1.4348,3.421;-.0489,-.057,-.0407;-3.7396,-.296,3.5819;-1.4857,3.524,1.6864;1.3964,-3.4335,1.5661;1.4237,3.4087,-1.5262;-.0625,-3.5206,3.9391;-1.7527,1.2528,-3.744;-3.7291,-1.7593,1.2785;1.0878,-3.9904,-1.3925;/R:/0/N:5,28,2,41,30,9,17,37,23,26,19,8,21,39,18,29,24,34,32,25,33,31,38,40,35,20,22,27,1,12,7,10,3,11,6,4;13,14,15,16,36/E:;(1,2,3,4)/CRV:3.1,4.1,5.1,6.1,8.1,10.1,11.1,12.1,13.1;1.1,2.1,3.1,4.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">6</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">6</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.12650461</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03764835</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01034038</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03764835</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01034038</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05103775</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01340087</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.334736"
                                 y3="-2.370839"
                                 z3="2.721837"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.542337"
                                 y3="-3.790407"
                                 z3="-0.240054"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.059674"
                                 y3="2.387728"
                                 z3="-2.546884"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.068317"
                                 y3="2.441363"
                                 z3="2.652095"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.404949"
                                 y3="-2.562331"
                                 z3="0.077495"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.436253"
                                 y3="2.642707"
                                 z3="-0.07692"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.3748"
                                 y3="2.715633"
                                 z3="0.340019"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.572565"
                                 y3="3.901783"
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                                 x3="-3.512244"
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                           <bond atomRefs2="a1 a41" order="S"/>
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                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
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                           <bond atomRefs2="a7 a32" order="S"/>
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                           <bond atomRefs2="a7 a9" order="S"/>
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                           <bond atomRefs2="a10 a32" order="S"/>
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                           <bond atomRefs2="a11 a19" order="S"/>
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                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
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                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-3/rH3MoO27W8.O4Si/c2-1(3)14-29(4)17-32(7,8)19-31(6)20-33(9,10)18-30(5,15-1)22-35(12,24-33)26-34(11,16-1,21-29)27-36(13,23-31,25-32)28-35;1-5(2,3)4/h2,7,9H;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3347,-2.3708,2.7218;3.5423,-3.7904,-.2401;.0597,2.3877,-2.5469;-.0683,2.4414,2.6521;2.4049,-2.5623,.0775;2.4363,2.6427,-.0769;-2.3748,2.7156,.34;3.5726,3.9018,.2241;-3.5122,3.9481,-.059;-2.5473,.0739,2.4092;2.6493,-.0724,2.4417;2.7039,.322,-2.3759;.972,-.9091,1.0282;-.9424,-.9601,-.9336;1.0055,.9637,-.9105;-.9149,1.0113,.9749;-3.0946,-1.0987,1.0066;2.8363,-1.0952,-1.1652;3.9123,.2349,3.5727;3.0351,1.2231,1.1085;.2412,3.579,3.9078;1.2285,1.1135,3.0411;-1.1209,.9858,-3.0772;-1.0915,-1.1573,2.852;-1.168,2.8422,-1.0871;-.3056,3.5595,-3.7467;1.1109,3.0334,1.2247;.9939,-3.0772,-1.1127;3.412,-1.5284,1.4342;3.9325,-.0798,-3.517;3.5283,1.6934,-1.4822;-3.4153,1.5511,1.4026;1.7096,-1.477,3.5429;1.5326,1.3805,-3.4167;-1.5256,1.4352,3.4142;-.0479,-.0569,-.0369;-3.7442,-.2882,3.5853;-1.4739,3.5385,1.7052;1.3762,-3.4294,1.5656;1.4215,3.3985,-1.5319;-.0739,-3.5074,3.953;-1.7517,1.2496,-3.7814;-3.7726,-1.7529,1.281;1.1272,-3.9943,-1.4435;/R:/0/N:5,28,2,41,30,9,17,37,23,26,19,8,21,39,18,29,24,34,32,25,33,31,38,40,35,20,22,27,1,12,7,10,3,11,6,4;13,14,15,16,36/E:;(1,2,3,4)/CRV:3.1,4.1,5.1,6.1,8.1,10.1,11.1,12.1,13.1;1.1,2.1,3.1,4.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">7</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.13249457</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02637604</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00856534</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02637604</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00856534</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.15098519</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04146382</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/p-3/rH3MoO31SiW8/c2-1(3)17-34(7)21-36(9,10)22-35(8)23-37(11,12)27-38(13,18-1,20-33(4,5)6)29-39(14,19-1)30-40(15,24-34,26-36)32-41(16,25-35,28-37)31-39/h2,9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;4;6;7;11;12;1;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOO1O1O1OOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3948,-2.3075,2.7718;3.494,-3.8086,-.2394;.0293,2.3249,-2.5581;-.0519,2.3924,2.7132;2.3533,-2.5809,.0546;2.3839,2.6976,-.0627;-2.3165,2.7538,.4011;3.5032,3.9746,.2277;-3.451,3.9629,-.0704;-2.5589,.0476,2.3659;2.7071,-.0568,2.3933;2.7437,.3746,-2.3162;.9774,-.881,1.0578;-.9295,-.9574,-.9095;1.0195,.9659,-.8802;-.8912,1.0265,.9849;-3.1368,-1.1369,1.0051;2.7895,-1.1008,-1.1684;3.9916,.2418,3.5028;3.052,1.2496,1.0865;.2486,3.5164,3.9833;1.2583,1.093,3.065;-1.1644,.9631,-3.1126;-1.0936,-1.1588,2.8121;-1.1755,2.7857,-1.0874;-.3095,3.5199,-3.7372;1.0881,3.0492,1.2529;.9678,-3.1256,-1.1327;3.3911,-1.5506,1.4231;3.9493,-.0973,-3.4546;3.5667,1.7474,-1.4483;-3.4033,1.5414,1.3429;1.7739,-1.4406,3.5892;1.5175,1.3037,-3.4038;-1.5434,1.4295,3.4004;-.0384,-.0493,-.018;-3.7446,-.2761,3.559;-1.4376,3.5796,1.7627;1.2994,-3.4168,1.5661;1.4073,3.3729,-1.5516;-.085,-3.4366,3.9846;-1.7433,1.1831,-3.8734;-3.8829,-1.7293,1.2387;1.1832,-3.9675,-1.5945;/R:/0/N:5,28,2,14,15,16,30,9,23,26,17,37,41,19,8,21,18,39,29,13,34,25,32,31,38,40,24,35,33,20,22,27,36,12,7,3,10,1,11,6,4/E:(4,5,6)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,15.1,16.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">8</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">8</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.14122871</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01764023</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00621351</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01764023</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00621351</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05358053</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01335377</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.400777"
                                 y3="-2.299732"
                                 z3="2.778967"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.512147"
                                 y3="-3.798289"
                                 z3="-0.225055"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.023645"
                                 y3="2.315193"
                                 z3="-2.560269"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.049054"
                                 y3="2.377127"
                                 z3="2.727451"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.349004"
                                 y3="-2.584953"
                                 z3="0.050587"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.367232"
                                 y3="2.708969"
                                 z3="-0.060315"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.308902"
                                 y3="2.755987"
                                 z3="0.407975"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.490075"
                                 y3="3.987077"
                                 z3="0.230241"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.45532"
                                 y3="3.950086"
                                 z3="-0.08516"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.561351"
                                 y3="0.042806"
                                 z3="2.365359"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.718716"
                                 y3="-0.05468"
                                 z3="2.378369"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.748098"
                                 y3="0.378015"
                                 z3="-2.308149"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.979341"
                                 y3="-0.879629"
                                 z3="1.066658"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.930168"
                                 y3="-0.96022"
                                 z3="-0.906167"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.02278"
                                 y3="0.96754"
                                 z3="-0.877413"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.891751"
                                 y3="1.029645"
                                 z3="0.990326"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.166258"
                                 y3="-1.153064"
                                 z3="1.030589"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.785104"
                                 y3="-1.111769"
                                 z3="-1.172831"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.00566"
                                 y3="0.244592"
                                 z3="3.489832"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.049297"
                                 y3="1.253436"
                                 z3="1.084182"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.252255"
                                 y3="3.506493"
                                 z3="3.996953"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.263692"
                                 y3="1.090542"
                                 z3="3.065836"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.17999"
                                 y3="0.976947"
                                 z3="-3.140117"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.103577"
                                 y3="-1.163286"
                                 z3="2.810156"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.181002"
                                 y3="2.773267"
                                 z3="-1.095801"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.288097"
                                 y3="3.534067"
                                 z3="-3.725264"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.08486"
                                 y3="3.046017"
                                 z3="1.257925"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.981585"
                                 y3="-3.155829"
                                 z3="-1.141816"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.386369"
                                 y3="-1.553605"
                                 z3="1.427969"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.93926"
                                 y3="-0.113145"
                                 z3="-3.458469"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.576253"
                                 y3="1.747924"
                                 z3="-1.440763"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.392517"
                                 y3="1.536381"
                                 z3="1.340076"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.777819"
                                 y3="-1.433601"
                                 z3="3.601236"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.511692"
                                 y3="1.294195"
                                 z3="-3.392156"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.543609"
                                 y3="1.435803"
                                 z3="3.399631"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.038631"
                                 y3="-0.049654"
                                 z3="-0.014622"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.735716"
                                 y3="-0.246379"
                                 z3="3.581364"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.429638"
                                 y3="3.589621"
                                 z3="1.764558"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.292936"
                                 y3="-3.404294"
                                 z3="1.56394"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.410887"
                                 y3="3.367027"
                                 z3="-1.552773"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.098162"
                                 y3="-3.438915"
                                 z3="3.979477"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.737379"
                                 y3="1.190467"
                                 z3="-3.918763"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.93648"
                                 y3="-1.716435"
                                 z3="1.258122"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.231618"
                                 y3="-3.963045"
                                 z3="-1.646278"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-3/rH3MoO31SiW8/c2-1(3)16-34(6)21-35(7,8)23-39(13)20-33(4,5)19-37(11,17-1)25-36(9,10,26-39)27-41(15,31-39)30-38(12,18-1,28-37)29-40(14,22-34,24-35)32-41/h2,7,9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;4;6;11;12;1;3;7;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOO1O1OOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;;s7;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4008,-2.2997,2.779;3.5121,-3.7983,-.2251;.0236,2.3152,-2.5603;-.0491,2.3771,2.7275;2.349,-2.585,.0506;2.3672,2.709,-.0603;-2.3089,2.756,.408;3.4901,3.9871,.2302;-3.4553,3.9501,-.0852;-2.5614,.0428,2.3654;2.7187,-.0547,2.3784;2.7481,.378,-2.3081;.9793,-.8796,1.0667;-.9302,-.9602,-.9062;1.0228,.9675,-.8774;-.8918,1.0296,.9903;-3.1663,-1.1531,1.0306;2.7851,-1.1118,-1.1728;4.0057,.2446,3.4898;3.0493,1.2534,1.0842;.2523,3.5065,3.997;1.2637,1.0905,3.0658;-1.18,.9769,-3.1401;-1.1036,-1.1633,2.8102;-1.181,2.7733,-1.0958;-.2881,3.5341,-3.7253;1.0849,3.046,1.2579;.9816,-3.1558,-1.1418;3.3864,-1.5536,1.428;3.9393,-.1131,-3.4585;3.5763,1.7479,-1.4408;-3.3925,1.5364,1.3401;1.7778,-1.4336,3.6012;1.5117,1.2942,-3.3922;-1.5436,1.4358,3.3996;-.0386,-.0497,-.0146;-3.7357,-.2464,3.5814;-1.4296,3.5896,1.7646;1.2929,-3.4043,1.5639;1.4109,3.367,-1.5528;-.0982,-3.4389,3.9795;-1.7374,1.1905,-3.9188;-3.9365,-1.7164,1.2581;1.2316,-3.963,-1.6463;/R:/0/N:5,28,2,14,15,30,23,26,17,37,41,19,9,8,21,18,39,29,13,16,34,31,25,40,24,32,35,33,20,22,38,27,36,12,3,10,1,11,7,6,4/E:(4,5)/CRV:3.1,4.1,5.1,6.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">9</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">9</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.14363276</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02080776</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00576211</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02080776</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00576211</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07590759</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01805504</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.403573"
                                 y3="-2.295898"
                                 z3="2.78694"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.546615"
                                 y3="-3.767501"
                                 z3="-0.211029"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.018315"
                                 y3="2.304944"
                                 z3="-2.560172"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.048559"
                                 y3="2.361519"
                                 z3="2.745361"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.344968"
                                 y3="-2.588864"
                                 z3="0.045661"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.349185"
                                 y3="2.723561"
                                 z3="-0.059328"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.303816"
                                 y3="2.75765"
                                 z3="0.412764"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.480897"
                                 y3="3.995947"
                                 z3="0.230695"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.47096"
                                 y3="3.924739"
                                 z3="-0.098324"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.562752"
                                 y3="0.037241"
                                 z3="2.367424"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.731663"
                                 y3="-0.05504"
                                 z3="2.361539"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.754494"
                                 y3="0.378472"
                                 z3="-2.300942"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.979397"
                                 y3="-0.879571"
                                 z3="1.078193"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.929404"
                                 y3="-0.959196"
                                 z3="-0.899098"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.028409"
                                 y3="0.968495"
                                 z3="-0.875399"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.894465"
                                 y3="1.034802"
                                 z3="0.997497"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.212463"
                                 y3="-1.171873"
                                 z3="1.067807"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.781247"
                                 y3="-1.131504"
                                 z3="-1.181012"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.014204"
                                 y3="0.24467"
                                 z3="3.4801"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.044928"
                                 y3="1.256936"
                                 z3="1.086299"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.253548"
                                 y3="3.502095"
                                 z3="4.006416"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.269289"
                                 y3="1.092863"
                                 z3="3.066413"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.194833"
                                 y3="0.996868"
                                 z3="-3.183245"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.121624"
                                 y3="-1.173501"
                                 z3="2.809644"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.19047"
                                 y3="2.756942"
                                 z3="-1.110285"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.254013"
                                 y3="3.549146"
                                 z3="-3.708156"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.085586"
                                 y3="3.042486"
                                 z3="1.263416"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.000005"
                                 y3="-3.203191"
                                 z3="-1.150503"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.385937"
                                 y3="-1.556224"
                                 z3="1.435039"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.92027"
                                 y3="-0.126302"
                                 z3="-3.471458"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.589323"
                                 y3="1.739851"
                                 z3="-1.433819"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.37887"
                                 y3="1.529348"
                                 z3="1.344611"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.772838"
                                 y3="-1.429769"
                                 z3="3.615355"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.505669"
                                 y3="1.290056"
                                 z3="-3.375545"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.541432"
                                 y3="1.444882"
                                 z3="3.406383"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.037375"
                                 y3="-0.047922"
                                 z3="-0.009343"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.714819"
                                 y3="-0.199972"
                                 z3="3.615359"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.424362"
                                 y3="3.602496"
                                 z3="1.758468"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.29467"
                                 y3="-3.388323"
                                 z3="1.559047"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.417438"
                                 y3="3.368103"
                                 z3="-1.551909"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.107759"
                                 y3="-3.453368"
                                 z3="3.964867"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.725535"
                                 y3="1.202452"
                                 z3="-3.982167"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.012387"
                                 y3="-1.695724"
                                 z3="1.286522"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.286935"
                                 y3="-3.964122"
                                 z3="-1.704487"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-3/rH3MoO31SiW8/c2-1(3)16-34(6)21-35(7,8)23-39(13)20-33(4,5)19-37(11,17-1)25-36(9,10,26-39)27-41(15,31-39)30-38(12,18-1,28-37)29-40(14,22-34,24-35)32-41/h2,7,9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;4;6;11;12;1;3;7;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOO1O1OOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;;s7;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4036,-2.2959,2.7869;3.5466,-3.7675,-.211;.0183,2.3049,-2.5602;-.0486,2.3615,2.7454;2.345,-2.5889,.0457;2.3492,2.7236,-.0593;-2.3038,2.7576,.4128;3.4809,3.9959,.2307;-3.471,3.9247,-.0983;-2.5628,.0372,2.3674;2.7317,-.055,2.3615;2.7545,.3785,-2.3009;.9794,-.8796,1.0782;-.9294,-.9592,-.8991;1.0284,.9685,-.8754;-.8945,1.0348,.9975;-3.2125,-1.1719,1.0678;2.7812,-1.1315,-1.181;4.0142,.2447,3.4801;3.0449,1.2569,1.0863;.2535,3.5021,4.0064;1.2693,1.0929,3.0664;-1.1948,.9969,-3.1832;-1.1216,-1.1735,2.8096;-1.1905,2.7569,-1.1103;-.254,3.5491,-3.7082;1.0856,3.0425,1.2634;1,-3.2032,-1.1505;3.3859,-1.5562,1.435;3.9203,-.1263,-3.4715;3.5893,1.7399,-1.4338;-3.3789,1.5293,1.3446;1.7728,-1.4298,3.6154;1.5057,1.2901,-3.3755;-1.5414,1.4449,3.4064;-.0374,-.0479,-.0093;-3.7148,-.2,3.6154;-1.4244,3.6025,1.7585;1.2947,-3.3883,1.559;1.4174,3.3681,-1.5519;-.1078,-3.4534,3.9649;-1.7255,1.2025,-3.9822;-4.0124,-1.6957,1.2865;1.2869,-3.9641,-1.7045;/R:/0/N:5,28,2,14,15,30,23,26,17,37,41,19,9,8,21,18,39,29,13,16,34,31,25,40,24,32,35,33,20,22,38,27,36,12,3,10,1,11,7,6,4/E:(4,5)/CRV:3.1,4.1,5.1,6.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">10</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">10</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.14634980</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01909712</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00494335</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01909712</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00494335</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05192306</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01211568</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.401601"
                                 y3="-2.29839"
                                 z3="2.79084"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.572947"
                                 y3="-3.737995"
                                 z3="-0.209337"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.015719"
                                 y3="2.299837"
                                 z3="-2.557182"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.050082"
                                 y3="2.357413"
                                 z3="2.755758"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.343323"
                                 y3="-2.590478"
                                 z3="0.043617"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.343068"
                                 y3="2.732987"
                                 z3="-0.060359"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.305135"
                                 y3="2.75878"
                                 z3="0.412585"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.484799"
                                 y3="3.994817"
                                 z3="0.227622"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.490474"
                                 y3="3.905059"
                                 z3="-0.094663"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.561802"
                                 y3="0.034011"
                                 z3="2.368412"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.738473"
                                 y3="-0.057197"
                                 z3="2.355483"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.75866"
                                 y3="0.374857"
                                 z3="-2.298875"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.977605"
                                 y3="-0.880083"
                                 z3="1.083989"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.929707"
                                 y3="-0.953745"
                                 z3="-0.892892"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.032278"
                                 y3="0.968455"
                                 z3="-0.875222"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.897036"
                                 y3="1.038465"
                                 z3="1.001919"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.247156"
                                 y3="-1.178241"
                                 z3="1.088582"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.777976"
                                 y3="-1.147961"
                                 z3="-1.188255"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.010188"
                                 y3="0.241645"
                                 z3="3.484452"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.045339"
                                 y3="1.258743"
                                 z3="1.091992"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.252198"
                                 y3="3.509102"
                                 z3="4.004625"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.272587"
                                 y3="1.099703"
                                 z3="3.069011"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.198438"
                                 y3="1.007349"
                                 z3="-3.21377"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.135663"
                                 y3="-1.184304"
                                 z3="2.807497"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.199862"
                                 y3="2.747554"
                                 z3="-1.121741"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.227165"
                                 y3="3.551287"
                                 z3="-3.700721"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.090581"
                                 y3="3.044914"
                                 z3="1.266119"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.009333"
                                 y3="-3.239016"
                                 z3="-1.150072"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.392592"
                                 y3="-1.555896"
                                 z3="1.439107"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.905141"
                                 y3="-0.123329"
                                 z3="-3.487071"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.595994"
                                 y3="1.728508"
                                 z3="-1.43299"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.372496"
                                 y3="1.526831"
                                 z3="1.35463"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.761315"
                                 y3="-1.431485"
                                 z3="3.621949"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.504683"
                                 y3="1.294408"
                                 z3="-3.365146"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.536996"
                                 y3="1.447955"
                                 z3="3.417998"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.034933"
                                 y3="-0.044439"
                                 z3="-0.004923"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.696389"
                                 y3="-0.172158"
                                 z3="3.634626"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.426614"
                                 y3="3.608776"
                                 z3="1.749431"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.306185"
                                 y3="-3.380527"
                                 z3="1.556381"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.420184"
                                 y3="3.377661"
                                 z3="-1.549046"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.101624"
                                 y3="-3.472701"
                                 z3="3.951123"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.714016"
                                 y3="1.20931"
                                 z3="-4.022958"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.06431"
                                 y3="-1.676613"
                                 z3="1.301731"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.310628"
                                 y3="-3.97517"
                                 z3="-1.728654"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-3/rH3MoO31SiW8/c2-1(3)16-34(6)21-35(7,8)23-39(13)20-33(4,5)19-37(11,17-1)25-36(9,10,26-39)27-41(15,31-39)30-38(12,18-1,28-37)29-40(14,22-34,24-35)32-41/h2,7,9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;4;6;11;12;1;3;7;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOO1O1OOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;;s7;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4016,-2.2984,2.7908;3.5729,-3.738,-.2093;.0157,2.2998,-2.5572;-.0501,2.3574,2.7558;2.3433,-2.5905,.0436;2.3431,2.733,-.0604;-2.3051,2.7588,.4126;3.4848,3.9948,.2276;-3.4905,3.9051,-.0947;-2.5618,.034,2.3684;2.7385,-.0572,2.3555;2.7587,.3749,-2.2989;.9776,-.8801,1.084;-.9297,-.9537,-.8929;1.0323,.9685,-.8752;-.897,1.0385,1.0019;-3.2472,-1.1782,1.0886;2.778,-1.148,-1.1883;4.0102,.2416,3.4845;3.0453,1.2587,1.092;.2522,3.5091,4.0046;1.2726,1.0997,3.069;-1.1984,1.0073,-3.2138;-1.1357,-1.1843,2.8075;-1.1999,2.7476,-1.1217;-.2272,3.5513,-3.7007;1.0906,3.0449,1.2661;1.0093,-3.239,-1.1501;3.3926,-1.5559,1.4391;3.9051,-.1233,-3.4871;3.596,1.7285,-1.433;-3.3725,1.5268,1.3546;1.7613,-1.4315,3.6219;1.5047,1.2944,-3.3651;-1.537,1.448,3.418;-.0349,-.0444,-.0049;-3.6964,-.1722,3.6346;-1.4266,3.6088,1.7494;1.3062,-3.3805,1.5564;1.4202,3.3777,-1.549;-.1016,-3.4727,3.9511;-1.714,1.2093,-4.023;-4.0643,-1.6766,1.3017;1.3106,-3.9752,-1.7287;/R:/0/N:5,28,2,14,15,30,23,26,17,37,41,19,9,8,21,18,39,29,13,16,34,31,25,40,24,32,35,33,20,22,38,27,36,12,3,10,1,11,7,6,4/E:(4,5)/CRV:3.1,4.1,5.1,6.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">11</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">11</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.14813475</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01066705</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00346341</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01066705</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00346341</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02979061</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00989975</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.395929"
                                 y3="-2.304337"
                                 z3="2.788915"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.582516"
                                 y3="-3.724171"
                                 z3="-0.217147"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.013951"
                                 y3="2.298771"
                                 z3="-2.552587"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.050723"
                                 y3="2.365217"
                                 z3="2.758499"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.344025"
                                 y3="-2.590639"
                                 z3="0.044137"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.349068"
                                 y3="2.737357"
                                 z3="-0.061407"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.311302"
                                 y3="2.760495"
                                 z3="0.408439"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.502142"
                                 y3="3.985587"
                                 z3="0.222517"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.512384"
                                 y3="3.897996"
                                 z3="-0.070334"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.558802"
                                 y3="0.033388"
                                 z3="2.364928"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.740654"
                                 y3="-0.058419"
                                 z3="2.360333"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.758572"
                                 y3="0.36805"
                                 z3="-2.30157"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.976225"
                                 y3="-0.879599"
                                 z3="1.080572"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.933224"
                                 y3="-0.944639"
                                 z3="-0.88934"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.030984"
                                 y3="0.969652"
                                 z3="-0.875992"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.897666"
                                 y3="1.038552"
                                 z3="1.004358"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.264061"
                                 y3="-1.167497"
                                 z3="1.082881"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.77367"
                                 y3="-1.158019"
                                 z3="-1.195665"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.997973"
                                 y3="0.236884"
                                 z3="3.502488"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.054052"
                                 y3="1.260129"
                                 z3="1.098534"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.250911"
                                 y3="3.526878"
                                 z3="3.994697"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.275131"
                                 y3="1.109249"
                                 z3="3.075428"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.189249"
                                 y3="1.002023"
                                 z3="-3.226226"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.142595"
                                 y3="-1.195517"
                                 z3="2.801845"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.21134"
                                 y3="2.748178"
                                 z3="-1.129216"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.21501"
                                 y3="3.544192"
                                 z3="-3.702856"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.098595"
                                 y3="3.055862"
                                 z3="1.267249"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.005389"
                                 y3="-3.260176"
                                 z3="-1.136554"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.405677"
                                 y3="-1.549891"
                                 z3="1.4378"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.897057"
                                 y3="-0.100544"
                                 z3="-3.505542"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.592055"
                                 y3="1.718749"
                                 z3="-1.437136"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.373663"
                                 y3="1.532491"
                                 z3="1.367193"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.746971"
                                 y3="-1.435057"
                                 z3="3.618628"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.510024"
                                 y3="1.304965"
                                 z3="-3.362924"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.528574"
                                 y3="1.44241"
                                 z3="3.431687"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.033016"
                                 y3="-0.040531"
                                 z3="-0.002034"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.689275"
                                 y3="-0.176228"
                                 z3="3.631505"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.433367"
                                 y3="3.606282"
                                 z3="1.742179"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.32711"
                                 y3="-3.380466"
                                 z3="1.559186"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.414754"
                                 y3="3.392711"
                                 z3="-1.54216"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.078466"
                                 y3="-3.49476"
                                 z3="3.940223"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.699637"
                                 y3="1.205097"
                                 z3="-4.037843"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.086312"
                                 y3="-1.657015"
                                 z3="1.295095"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.298731"
                                 y3="-4.00496"
                                 z3="-1.707184"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-3/rH3MoO31SiW8/c2-1(3)16-34(6)21-35(7,8)23-39(13)20-33(4,5)19-37(11,17-1)25-36(9,10,26-39)27-41(15,31-39)30-38(12,18-1,28-37)29-40(14,22-34,24-35)32-41/h2,7,9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;4;6;11;12;1;3;7;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOO1O1OOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;;s7;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3959,-2.3043,2.7889;3.5825,-3.7242,-.2171;.014,2.2988,-2.5526;-.0507,2.3652,2.7585;2.344,-2.5906,.0441;2.3491,2.7374,-.0614;-2.3113,2.7605,.4084;3.5021,3.9856,.2225;-3.5124,3.898,-.0703;-2.5588,.0334,2.3649;2.7407,-.0584,2.3603;2.7586,.368,-2.3016;.9762,-.8796,1.0806;-.9332,-.9446,-.8893;1.031,.9697,-.876;-.8977,1.0386,1.0044;-3.2641,-1.1675,1.0829;2.7737,-1.158,-1.1957;3.998,.2369,3.5025;3.0541,1.2601,1.0985;.2509,3.5269,3.9947;1.2751,1.1092,3.0754;-1.1892,1.002,-3.2262;-1.1426,-1.1955,2.8018;-1.2113,2.7482,-1.1292;-.215,3.5442,-3.7029;1.0986,3.0559,1.2672;1.0054,-3.2602,-1.1366;3.4057,-1.5499,1.4378;3.8971,-.1005,-3.5055;3.5921,1.7187,-1.4371;-3.3737,1.5325,1.3672;1.747,-1.4351,3.6186;1.51,1.305,-3.3629;-1.5286,1.4424,3.4317;-.033,-.0405,-.002;-3.6893,-.1762,3.6315;-1.4334,3.6063,1.7422;1.3271,-3.3805,1.5592;1.4148,3.3927,-1.5422;-.0785,-3.4948,3.9402;-1.6996,1.2051,-4.0378;-4.0863,-1.657,1.2951;1.2987,-4.005,-1.7072;/R:/0/N:5,28,2,14,15,30,23,26,17,37,41,19,9,8,21,18,39,29,13,16,34,31,25,40,24,32,35,33,20,22,38,27,36,12,3,10,1,11,7,6,4/E:(4,5)/CRV:3.1,4.1,5.1,6.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">12</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">12</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.14946781</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00750108</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00195437</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00750108</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00195437</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01762575</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00547977</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.396319"
                                 y3="-2.302026"
                                 z3="2.789634"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.585899"
                                 y3="-3.71994"
                                 z3="-0.218537"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.010615"
                                 y3="2.293991"
                                 z3="-2.551579"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.048454"
                                 y3="2.363356"
                                 z3="2.763928"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.340529"
                                 y3="-2.594145"
                                 z3="0.04177"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.346499"
                                 y3="2.743457"
                                 z3="-0.059147"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.310661"
                                 y3="2.762522"
                                 z3="0.40867"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.506207"
                                 y3="3.986129"
                                 z3="0.224093"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.520999"
                                 y3="3.895031"
                                 z3="-0.05885"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.558497"
                                 y3="0.030951"
                                 z3="2.359761"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.746384"
                                 y3="-0.056124"
                                 z3="2.35653"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.760035"
                                 y3="0.367355"
                                 z3="-2.298601"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.97772"
                                 y3="-0.877693"
                                 z3="1.076832"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.936017"
                                 y3="-0.943536"
                                 z3="-0.889007"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.027325"
                                 y3="0.971933"
                                 z3="-0.875033"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.896864"
                                 y3="1.035586"
                                 z3="1.006882"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.276027"
                                 y3="-1.163086"
                                 z3="1.080017"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.770816"
                                 y3="-1.165554"
                                 z3="-1.203176"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.996357"
                                 y3="0.237939"
                                 z3="3.506792"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.058777"
                                 y3="1.263152"
                                 z3="1.098979"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.252008"
                                 y3="3.531549"
                                 z3="3.994169"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.279204"
                                 y3="1.11197"
                                 z3="3.078108"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.18576"
                                 y3="0.998552"
                                 z3="-3.236206"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.147926"
                                 y3="-1.204581"
                                 z3="2.799518"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.221163"
                                 y3="2.74921"
                                 z3="-1.135722"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.209214"
                                 y3="3.542852"
                                 z3="-3.699111"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.100433"
                                 y3="3.060621"
                                 z3="1.27071"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.001228"
                                 y3="-3.276068"
                                 z3="-1.129403"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.410483"
                                 y3="-1.545692"
                                 z3="1.435598"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.89436"
                                 y3="-0.089144"
                                 z3="-3.511594"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.590215"
                                 y3="1.717885"
                                 z3="-1.432236"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.371586"
                                 y3="1.53625"
                                 z3="1.370774"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.743622"
                                 y3="-1.428923"
                                 z3="3.61792"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.512577"
                                 y3="1.304653"
                                 z3="-3.360421"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.522735"
                                 y3="1.438385"
                                 z3="3.436964"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.033922"
                                 y3="-0.040834"
                                 z3="-0.002028"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.685826"
                                 y3="-0.174859"
                                 z3="3.629468"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.429701"
                                 y3="3.605199"
                                 z3="1.741343"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.334316"
                                 y3="-3.378068"
                                 z3="1.562211"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.410065"
                                 y3="3.397539"
                                 z3="-1.536207"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.065971"
                                 y3="-3.50202"
                                 z3="3.936205"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.685939"
                                 y3="1.199791"
                                 z3="-4.054813"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.103938"
                                 y3="-1.643581"
                                 z3="1.290896"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.292706"
                                 y3="-4.021284"
                                 z3="-1.700502"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/p-3/rH3MoO31SiW8/c2-1(3)17-34(7)21-36(9,10)22-35(8)23-37(11,12)27-38(13,18-1,20-33(4,5)6)29-39(14,19-1)30-40(15,24-34,26-36)32-41(16,25-35,28-37)31-39/h2,9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;4;6;7;11;12;1;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOO1O1O1OOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3963,-2.302,2.7896;3.5859,-3.7199,-.2185;.0106,2.294,-2.5516;-.0485,2.3634,2.7639;2.3405,-2.5941,.0418;2.3465,2.7435,-.0591;-2.3107,2.7625,.4087;3.5062,3.9861,.2241;-3.521,3.895,-.0588;-2.5585,.031,2.3598;2.7464,-.0561,2.3565;2.76,.3674,-2.2986;.9777,-.8777,1.0768;-.936,-.9435,-.889;1.0273,.9719,-.875;-.8969,1.0356,1.0069;-3.276,-1.1631,1.08;2.7708,-1.1656,-1.2032;3.9964,.2379,3.5068;3.0588,1.2632,1.099;.252,3.5315,3.9942;1.2792,1.112,3.0781;-1.1858,.9986,-3.2362;-1.1479,-1.2046,2.7995;-1.2212,2.7492,-1.1357;-.2092,3.5429,-3.6991;1.1004,3.0606,1.2707;1.0012,-3.2761,-1.1294;3.4105,-1.5457,1.4356;3.8944,-.0891,-3.5116;3.5902,1.7179,-1.4322;-3.3716,1.5362,1.3708;1.7436,-1.4289,3.6179;1.5126,1.3047,-3.3604;-1.5227,1.4384,3.437;-.0339,-.0408,-.002;-3.6858,-.1749,3.6295;-1.4297,3.6052,1.7413;1.3343,-3.3781,1.5622;1.4101,3.3975,-1.5362;-.066,-3.502,3.9362;-1.6859,1.1998,-4.0548;-4.1039,-1.6436,1.2909;1.2927,-4.0213,-1.7005;/R:/0/N:5,28,2,14,15,16,30,9,23,26,17,37,41,19,8,21,18,39,29,13,34,25,32,31,38,40,24,35,33,20,22,27,36,12,7,3,10,1,11,6,4/E:(4,5,6)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,15.1,16.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">13</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">13</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.14990954</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00624865</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00171322</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00624865</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00171322</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01639616</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00568674</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.396887"
                                 y3="-2.29936"
                                 z3="2.78898"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.583007"
                                 y3="-3.72584"
                                 z3="-0.216644"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.006551"
                                 y3="2.289165"
                                 z3="-2.550871"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.044553"
                                 y3="2.362881"
                                 z3="2.767975"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.337777"
                                 y3="-2.598271"
                                 z3="0.039151"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.346237"
                                 y3="2.748314"
                                 z3="-0.056196"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.309805"
                                 y3="2.766615"
                                 z3="0.409794"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.509161"
                                 y3="3.989352"
                                 z3="0.226791"/>
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                           <bond atomRefs2="a6 a8" order="S"/>
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                           <bond atomRefs2="a7 a9" order="S"/>
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                           <bond atomRefs2="a10 a37" order="S"/>
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                           <bond atomRefs2="a11 a19" order="S"/>
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                           <bond atomRefs2="a11 a22" order="S"/>
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                           <bond atomRefs2="a23 a42" order="S"/>
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                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/p-3/rH3MoO31SiW8/c2-1(3)17-34(7)21-36(9,10)22-35(8)23-37(11,12)27-38(13,18-1,20-33(4,5)6)29-39(14,19-1)30-40(15,24-34,26-36)32-41(16,25-35,28-37)31-39/h2,9,11H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">14</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
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                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00175876</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/p-3/rH3MoO31SiW8/c2-1(3)17-34(7)21-36(9,10)22-35(8)23-37(11,12)27-38(13,18-1,20-33(4,5)6)29-39(14,19-1)30-40(15,24-34,26-36)32-41(16,25-35,28-37)31-39/h2,9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;4;6;7;11;12;1;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOO1O1O1OOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3987,-2.2967,2.7902;3.5766,-3.7315,-.213;.0041,2.2847,-2.5495;-.042,2.3639,2.771;2.3335,-2.6003,.0361;2.3484,2.7516,-.054;-2.3095,2.7717,.4122;3.509,3.9953,.2278;-3.524,3.9093,-.0351;-2.559,.03,2.3456;2.7556,-.0504,2.3563;2.7628,.37,-2.2969;.9851,-.8785,1.0642;-.9388,-.9518,-.8931;1.0124,.9783,-.8778;-.8989,1.0238,1.0112;-3.2733,-1.1471,1.0544;2.7677,-1.1755,-1.2249;4.0017,.2422,3.513;3.0653,1.2697,1.0991;.2544,3.5335,4.0027;1.2857,1.1141,3.0802;-1.1785,.9811,-3.2307;-1.1576,-1.2245,2.7954;-1.2436,2.7549,-1.1451;-.2188,3.5335,-3.6979;1.1032,3.0641,1.2781;.9876,-3.2787,-1.1193;3.4151,-1.5373,1.4335;3.9003,-.0693,-3.5148;3.5836,1.7246,-1.421;-3.3713,1.5484,1.3729;1.7438,-1.4138,3.6159;1.5163,1.302,-3.3601;-1.5159,1.4334,3.4384;-.0386,-.0466,-.0061;-3.6895,-.1817,3.6128;-1.4148,3.6023,1.7458;1.3435,-3.3756,1.5694;1.4039,3.3984,-1.5277;-.047,-3.5062,3.9351;-1.6687,1.1773,-4.0572;-4.0986,-1.6331,1.2646;1.2636,-4.0408,-1.6765;/R:/0/N:5,28,2,14,15,16,30,9,23,26,17,37,41,19,8,21,18,39,29,13,34,25,32,31,38,40,24,35,33,20,22,27,36,12,7,3,10,1,11,6,4/E:(4,5,6)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,15.1,16.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">15</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">15</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15043821</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00563302</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00189793</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00563302</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00189793</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01585039</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00571061</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.400183"
                                 y3="-2.294156"
                                 z3="2.792063"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.569771"
                                 y3="-3.734237"
                                 z3="-0.205075"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.002734"
                                 y3="2.27912"
                                 z3="-2.545293"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.039227"
                                 y3="2.36726"
                                 z3="2.773475"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.327273"
                                 y3="-2.599578"
                                 z3="0.032285"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.353099"
                                 y3="2.754701"
                                 z3="-0.051469"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.31063"
                                 y3="2.779229"
                                 z3="0.415799"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.505835"
                                 y3="4.005564"
                                 z3="0.227163"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.519855"
                                 y3="3.923422"
                                 z3="-0.025977"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.557723"
                                 y3="0.032271"
                                 z3="2.338717"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.759253"
                                 y3="-0.048198"
                                 z3="2.359968"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.766757"
                                 y3="0.373673"
                                 z3="-2.29797"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.988291"
                                 y3="-0.883063"
                                 z3="1.058884"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.93716"
                                 y3="-0.961697"
                                 z3="-0.894073"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.002412"
                                 y3="0.980362"
                                 z3="-0.882212"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.905456"
                                 y3="1.015471"
                                 z3="1.012526"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.267265"
                                 y3="-1.139241"
                                 z3="1.040886"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.763882"
                                 y3="-1.181552"
                                 z3="-1.240642"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.010757"
                                 y3="0.242935"
                                 z3="3.511214"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.064291"
                                 y3="1.273405"
                                 z3="1.10123"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.25347"
                                 y3="3.529827"
                                 z3="4.012185"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.287463"
                                 y3="1.11516"
                                 z3="3.078969"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.175975"
                                 y3="0.970085"
                                 z3="-3.222047"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.16624"
                                 y3="-1.236743"
                                 z3="2.791559"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.257522"
                                 y3="2.753191"
                                 z3="-1.150001"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.221285"
                                 y3="3.525273"
                                 z3="-3.697202"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.105049"
                                 y3="3.062239"
                                 z3="1.281044"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.982156"
                                 y3="-3.272284"
                                 z3="-1.122566"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.414838"
                                 y3="-1.53306"
                                 z3="1.433055"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.908354"
                                 y3="-0.064092"
                                 z3="-3.5117"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.582497"
                                 y3="1.727733"
                                 z3="-1.414009"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.371864"
                                 y3="1.554561"
                                 z3="1.374527"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.745126"
                                 y3="-1.407589"
                                 z3="3.616751"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.517667"
                                 y3="1.303423"
                                 z3="-3.358599"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.514632"
                                 y3="1.434613"
                                 z3="3.435858"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.041596"
                                 y3="-0.05087"
                                 z3="-0.008196"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.688525"
                                 y3="-0.180384"
                                 z3="3.605992"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.406186"
                                 y3="3.603305"
                                 z3="1.747305"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.34465"
                                 y3="-3.372925"
                                 z3="1.570337"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.404936"
                                 y3="3.395892"
                                 z3="-1.526042"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.044385"
                                 y3="-3.504318"
                                 z3="3.936415"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.666839"
                                 y3="1.161409"
                                 z3="-4.049258"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.08462"
                                 y3="-1.638642"
                                 z3="1.25216"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.24974"
                                 y3="-4.042794"
                                 z3="-1.67244"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-3/rH3MoO27W8.O4Si/c2-1(3)14-29(4)17-32(7,8)19-31(6)20-33(9,10)18-30(5,15-1)22-35(12,24-33)26-34(11,16-1,21-29)27-36(13,23-31,25-32)28-35;1-5(2,3)4/h2,7,9H;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4002,-2.2942,2.7921;3.5698,-3.7342,-.2051;.0027,2.2791,-2.5453;-.0392,2.3673,2.7735;2.3273,-2.5996,.0323;2.3531,2.7547,-.0515;-2.3106,2.7792,.4158;3.5058,4.0056,.2272;-3.5199,3.9234,-.026;-2.5577,.0323,2.3387;2.7593,-.0482,2.36;2.7668,.3737,-2.298;.9883,-.8831,1.0589;-.9372,-.9617,-.8941;1.0024,.9804,-.8822;-.9055,1.0155,1.0125;-3.2673,-1.1392,1.0409;2.7639,-1.1816,-1.2406;4.0108,.2429,3.5112;3.0643,1.2734,1.1012;.2535,3.5298,4.0122;1.2875,1.1152,3.079;-1.176,.9701,-3.222;-1.1662,-1.2367,2.7916;-1.2575,2.7532,-1.15;-.2213,3.5253,-3.6972;1.105,3.0622,1.281;.9822,-3.2723,-1.1226;3.4148,-1.5331,1.4331;3.9084,-.0641,-3.5117;3.5825,1.7277,-1.414;-3.3719,1.5546,1.3745;1.7451,-1.4076,3.6168;1.5177,1.3034,-3.3586;-1.5146,1.4346,3.4359;-.0416,-.0509,-.0082;-3.6885,-.1804,3.606;-1.4062,3.6033,1.7473;1.3446,-3.3729,1.5703;1.4049,3.3959,-1.526;-.0444,-3.5043,3.9364;-1.6668,1.1614,-4.0493;-4.0846,-1.6386,1.2522;1.2497,-4.0428,-1.6724;/R:/0/N:5,28,2,41,30,9,17,37,23,26,19,8,21,39,18,29,24,34,32,25,33,31,38,40,35,20,22,27,1,12,7,10,3,11,6,4;13,14,15,16,36/E:;(1,2,3,4)/CRV:3.1,4.1,5.1,6.1,8.1,10.1,11.1,12.1,13.1;1.1,2.1,3.1,4.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">16</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">16</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15069319</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00724936</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00172475</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00724936</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00172475</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01062645</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00400528</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.401728"
                                 y3="-2.291888"
                                 z3="2.79397"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.566037"
                                 y3="-3.72918"
                                 z3="-0.200196"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.003052"
                                 y3="2.27433"
                                 z3="-2.540781"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.037517"
                                 y3="2.369776"
                                 z3="2.77552"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.32071"
                                 y3="-2.596402"
                                 z3="0.029531"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.356258"
                                 y3="2.757176"
                                 z3="-0.049585"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.311391"
                                 y3="2.784013"
                                 z3="0.418517"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.501141"
                                 y3="4.014945"
                                 z3="0.225863"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.51553"
                                 y3="3.93318"
                                 z3="-0.022241"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.555272"
                                 y3="0.034675"
                                 z3="2.334639"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.761962"
                                 y3="-0.046922"
                                 z3="2.362178"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.770279"
                                 y3="0.376949"
                                 z3="-2.29811"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.988379"
                                 y3="-0.886571"
                                 z3="1.05648"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.935806"
                                 y3="-0.969208"
                                 z3="-0.892967"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.995365"
                                 y3="0.980211"
                                 z3="-0.885178"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.911171"
                                 y3="1.009188"
                                 z3="1.012485"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.268154"
                                 y3="-1.134042"
                                 z3="1.035025"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.756727"
                                 y3="-1.185344"
                                 z3="-1.251269"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.01967"
                                 y3="0.242027"
                                 z3="3.506262"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.062511"
                                 y3="1.276288"
                                 z3="1.102509"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.252268"
                                 y3="3.525217"
                                 z3="4.020624"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.28857"
                                 y3="1.115223"
                                 z3="3.078343"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.172609"
                                 y3="0.962925"
                                 z3="-3.220304"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.172247"
                                 y3="-1.244869"
                                 z3="2.786059"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.267028"
                                 y3="2.747407"
                                 z3="-1.153032"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.218865"
                                 y3="3.520322"
                                 z3="-3.693443"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.105369"
                                 y3="3.061359"
                                 z3="1.282481"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.979816"
                                 y3="-3.273963"
                                 z3="-1.126943"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.414156"
                                 y3="-1.528543"
                                 z3="1.42947"/>
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                                 id="a30"
                                 x3="3.915354"
                                 y3="-0.060563"
                                 z3="-3.507488"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.582975"
                                 y3="1.728682"
                                 z3="-1.408386"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.372408"
                                 y3="1.558488"
                                 z3="1.375981"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.746764"
                                 y3="-1.4045"
                                 z3="3.617501"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.519924"
                                 y3="1.305728"
                                 z3="-3.35722"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.51274"
                                 y3="1.434472"
                                 z3="3.43415"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.043785"
                                 y3="-0.053457"
                                 z3="-0.008925"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.684744"
                                 y3="-0.176238"
                                 z3="3.603652"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.401183"
                                 y3="3.604728"
                                 z3="1.747709"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.343571"
                                 y3="-3.371007"
                                 z3="1.569833"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.404535"
                                 y3="3.394212"
                                 z3="-1.52439"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.04377"
                                 y3="-3.501418"
                                 z3="3.937748"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.664776"
                                 y3="1.1517"
                                 z3="-4.047176"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.079807"
                                 y3="-1.641441"
                                 z3="1.248219"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.245179"
                                 y3="-4.048967"
                                 z3="-1.671515"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-3/rH3MoO27W8.O4Si/c2-1(3)14-29(4)17-32(7,8)19-31(6)20-33(9,10)18-30(5,15-1)22-35(12,24-33)26-34(11,16-1,21-29)27-36(13,23-31,25-32)28-35;1-5(2,3)4/h2,7,9H;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1O1OOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4017,-2.2919,2.794;3.566,-3.7292,-.2002;.0031,2.2743,-2.5408;-.0375,2.3698,2.7755;2.3207,-2.5964,.0295;2.3563,2.7572,-.0496;-2.3114,2.784,.4185;3.5011,4.0149,.2259;-3.5155,3.9332,-.0222;-2.5553,.0347,2.3346;2.762,-.0469,2.3622;2.7703,.3769,-2.2981;.9884,-.8866,1.0565;-.9358,-.9692,-.893;.9954,.9802,-.8852;-.9112,1.0092,1.0125;-3.2682,-1.134,1.035;2.7567,-1.1853,-1.2513;4.0197,.242,3.5063;3.0625,1.2763,1.1025;.2523,3.5252,4.0206;1.2886,1.1152,3.0783;-1.1726,.9629,-3.2203;-1.1722,-1.2449,2.7861;-1.267,2.7474,-1.153;-.2189,3.5203,-3.6934;1.1054,3.0614,1.2825;.9798,-3.274,-1.1269;3.4142,-1.5285,1.4295;3.9154,-.0606,-3.5075;3.583,1.7287,-1.4084;-3.3724,1.5585,1.376;1.7468,-1.4045,3.6175;1.5199,1.3057,-3.3572;-1.5127,1.4345,3.4341;-.0438,-.0535,-.0089;-3.6847,-.1762,3.6037;-1.4012,3.6047,1.7477;1.3436,-3.371,1.5698;1.4045,3.3942,-1.5244;-.0438,-3.5014,3.9377;-1.6648,1.1517,-4.0472;-4.0798,-1.6414,1.2482;1.2452,-4.049,-1.6715;/R:/0/N:5,28,2,41,30,9,17,37,23,26,19,8,21,39,18,29,24,34,32,25,33,31,38,40,35,20,22,27,1,12,7,10,3,11,6,4;13,14,15,16,36/E:;(1,2,3,4)/CRV:3.1,4.1,5.1,6.1,8.1,10.1,11.1,12.1,13.1;1.1,2.1,3.1,4.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">17</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">17</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15088694</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00710420</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00141352</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00710420</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00141352</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01800403</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00483771</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.403026"
                                 y3="-2.289414"
                                 z3="2.794942"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.565321"
                                 y3="-3.717032"
                                 z3="-0.195527"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.005266"
                                 y3="2.270971"
                                 z3="-2.534681"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.03578"
                                 y3="2.371914"
                                 z3="2.776914"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.313266"
                                 y3="-2.590356"
                                 z3="0.028564"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.358686"
                                 y3="2.758718"
                                 z3="-0.047555"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.312814"
                                 y3="2.786786"
                                 z3="0.420193"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.495062"
                                 y3="4.023969"
                                 z3="0.224743"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.510713"
                                 y3="3.941773"
                                 z3="-0.020759"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.551024"
                                 y3="0.038196"
                                 z3="2.332261"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.764034"
                                 y3="-0.045801"
                                 z3="2.363697"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.772107"
                                 y3="0.379144"
                                 z3="-2.299021"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.985242"
                                 y3="-0.889753"
                                 z3="1.054294"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.936887"
                                 y3="-0.977499"
                                 z3="-0.892472"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.988116"
                                 y3="0.977664"
                                 z3="-0.887905"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.917444"
                                 y3="1.002643"
                                 z3="1.010032"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.277147"
                                 y3="-1.127378"
                                 z3="1.034397"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.746144"
                                 y3="-1.188338"
                                 z3="-1.259953"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.029316"
                                 y3="0.240059"
                                 z3="3.499225"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.060324"
                                 y3="1.279098"
                                 z3="1.10277"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.252207"
                                 y3="3.519199"
                                 z3="4.028896"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.289238"
                                 y3="1.114065"
                                 z3="3.077635"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.166557"
                                 y3="0.960107"
                                 z3="-3.225644"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.175836"
                                 y3="-1.25051"
                                 z3="2.777312"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.275189"
                                 y3="2.739005"
                                 z3="-1.155018"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.212667"
                                 y3="3.519468"
                                 z3="-3.685566"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.103911"
                                 y3="3.061212"
                                 z3="1.282815"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.982233"
                                 y3="-3.287633"
                                 z3="-1.131004"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.413165"
                                 y3="-1.521373"
                                 z3="1.421718"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.922208"
                                 y3="-0.056884"
                                 z3="-3.503545"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.582834"
                                 y3="1.727709"
                                 z3="-1.403647"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.373842"
                                 y3="1.562811"
                                 z3="1.377844"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.749071"
                                 y3="-1.402655"
                                 z3="3.616872"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.524357"
                                 y3="1.310559"
                                 z3="-3.356553"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.508337"
                                 y3="1.43121"
                                 z3="3.432837"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.047516"
                                 y3="-0.056595"
                                 z3="-0.010739"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.67818"
                                 y3="-0.170925"
                                 z3="3.604256"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.399005"
                                 y3="3.604674"
                                 z3="1.748418"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.340964"
                                 y3="-3.36995"
                                 z3="1.569513"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.401046"
                                 y3="3.3929"
                                 z3="-1.52005"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.042873"
                                 y3="-3.497148"
                                 z3="3.940021"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.660141"
                                 y3="1.150556"
                                 z3="-4.051054"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.084177"
                                 y3="-1.639495"
                                 z3="1.252578"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.252484"
                                 y3="-4.066971"
                                 z3="-1.666454"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/p-3/rH3MoO31SiW8/c2-1(3)17-34(7)21-36(9,10)22-35(8)23-37(11,12)27-38(13,18-1,20-33(4,5)6)29-39(14,19-1)30-40(15,24-34,26-36)32-41(16,25-35,28-37)31-39/h2,9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;4;6;7;11;12;1;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOO1O1O1OOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;;;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.403,-2.2894,2.7949;3.5653,-3.717,-.1955;.0053,2.271,-2.5347;-.0358,2.3719,2.7769;2.3133,-2.5904,.0286;2.3587,2.7587,-.0476;-2.3128,2.7868,.4202;3.4951,4.024,.2247;-3.5107,3.9418,-.0208;-2.551,.0382,2.3323;2.764,-.0458,2.3637;2.7721,.3791,-2.299;.9852,-.8898,1.0543;-.9369,-.9775,-.8925;.9881,.9777,-.8879;-.9174,1.0026,1.01;-3.2771,-1.1274,1.0344;2.7461,-1.1883,-1.26;4.0293,.2401,3.4992;3.0603,1.2791,1.1028;.2522,3.5192,4.0289;1.2892,1.1141,3.0776;-1.1666,.9601,-3.2256;-1.1758,-1.2505,2.7773;-1.2752,2.739,-1.155;-.2127,3.5195,-3.6856;1.1039,3.0612,1.2828;.9822,-3.2876,-1.131;3.4132,-1.5214,1.4217;3.9222,-.0569,-3.5035;3.5828,1.7277,-1.4036;-3.3738,1.5628,1.3778;1.7491,-1.4027,3.6169;1.5244,1.3106,-3.3566;-1.5083,1.4312,3.4328;-.0475,-.0566,-.0107;-3.6782,-.1709,3.6043;-1.399,3.6047,1.7484;1.341,-3.3699,1.5695;1.401,3.3929,-1.52;-.0429,-3.4971,3.94;-1.6601,1.1506,-4.0511;-4.0842,-1.6395,1.2526;1.2525,-4.067,-1.6665;/R:/0/N:5,28,2,14,15,16,30,9,23,26,17,37,41,19,8,21,18,39,29,13,34,25,32,31,38,40,24,35,33,20,22,27,36,12,7,3,10,1,11,6,4/E:(4,5,6)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,15.1,16.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">18</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">18</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15117383</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00380524</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00105880</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00380524</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00105880</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01875933</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00443761</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 y3="-2.289076"
                                 z3="2.793185"/>
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                                 z3="-0.191582"/>
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                                 z3="-2.531033"/>
                           <atom elementType="W"
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                                 z3="2.777926"/>
                           <atom elementType="Mo"
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                                 y3="-2.58606"
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                                 y3="2.759736"
                                 z3="-0.045947"/>
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                                 x3="-2.313227"
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                                 x3="-3.506981"
                                 y3="3.947433"
                                 z3="-0.019704"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.548304"
                                 y3="0.041489"
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                           <atom elementType="W"
                                 id="a11"
                                 x3="2.764755"
                                 y3="-0.045601"
                                 z3="2.36348"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.771556"
                                 y3="0.380175"
                                 z3="-2.299877"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.981996"
                                 y3="-0.891278"
                                 z3="1.051987"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.938004"
                                 y3="-0.983663"
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                           <atom elementType="O"
                                 id="a15"
                                 x3="0.984093"
                                 y3="0.974992"
                                 z3="-0.889395"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.920871"
                                 y3="0.999496"
                                 z3="1.006997"/>
                           <atom elementType="O"
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                                 x3="-3.287625"
                                 y3="-1.121055"
                                 z3="1.037506"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.737113"
                                 y3="-1.188217"
                                 z3="-1.262549"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.033374"
                                 y3="0.239071"
                                 z3="3.495461"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.058735"
                                 y3="1.281198"
                                 z3="1.102183"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.255541"
                                 y3="3.515801"
                                 z3="4.032863"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.289611"
                                 y3="1.112349"
                                 z3="3.077142"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.161103"
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                                 z3="-3.232073"/>
                           <atom elementType="O"
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                                 x3="-1.176781"
                                 y3="-1.252427"
                                 z3="2.770853"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.278171"
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                                 z3="-1.15438"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.210738"
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                                 z3="-3.679683"/>
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                                 id="a27"
                                 x3="1.101709"
                                 y3="3.061749"
                                 z3="1.282881"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.989223"
                                 y3="-3.304576"
                                 z3="-1.13292"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.412429"
                                 y3="-1.516198"
                                 z3="1.4154"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.925577"
                                 y3="-0.054236"
                                 z3="-3.501376"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.580728"
                                 y3="1.727901"
                                 z3="-1.402255"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.3757"
                                 y3="1.567471"
                                 z3="1.378766"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.751011"
                                 y3="-1.403381"
                                 z3="3.613954"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.527835"
                                 y3="1.31265"
                                 z3="-3.35827"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.504403"
                                 y3="1.428002"
                                 z3="3.432786"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.051176"
                                 y3="-0.059437"
                                 z3="-0.013626"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.673593"
                                 y3="-0.166387"
                                 z3="3.606465"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.398425"
                                 y3="3.603604"
                                 z3="1.750672"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.338463"
                                 y3="-3.370927"
                                 z3="1.568863"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.396056"
                                 y3="3.392572"
                                 z3="-1.516095"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.043531"
                                 y3="-3.495548"
                                 z3="3.940005"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.654648"
                                 y3="1.153057"
                                 z3="-4.056722"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.094532"
                                 y3="-1.631166"
                                 z3="1.260511"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.268651"
                                 y3="-4.08573"
                                 z3="-1.660622"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-34(5)21-38(9)27-37(8,17-1)26-36(7,16-1)18-33(4)19-40(11,12,23-34,31-38)24-35(6)22-39(10,28-37,29-38)32-41(13,14,20-33,25-35)30-36/h2,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;4;6;7;11;12;1;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOO1OOOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4029,-2.2891,2.7932;3.5687,-3.7062,-.1916;.0067,2.2696,-2.531;-.0341,2.3724,2.7779;2.3096,-2.5861,.0291;2.3583,2.7597,-.0459;-2.3132,2.788,.4215;3.4906,4.0285,.2261;-3.507,3.9474,-.0197;-2.5483,.0415,2.332;2.7648,-.0456,2.3635;2.7716,.3802,-2.2999;.982,-.8913,1.052;-.938,-.9837,-.8949;.9841,.975,-.8894;-.9209,.9995,1.007;-3.2876,-1.1211,1.0375;2.7371,-1.1882,-1.2625;4.0334,.2391,3.4955;3.0587,1.2812,1.1022;.2555,3.5158,4.0329;1.2896,1.1123,3.0771;-1.1611,.9597,-3.2321;-1.1768,-1.2524,2.7709;-1.2782,2.7319,-1.1544;-.2107,3.521,-3.6797;1.1017,3.0617,1.2829;.9892,-3.3046,-1.1329;3.4124,-1.5162,1.4154;3.9256,-.0542,-3.5014;3.5807,1.7279,-1.4023;-3.3757,1.5675,1.3788;1.751,-1.4034,3.614;1.5278,1.3127,-3.3583;-1.5044,1.428,3.4328;-.0512,-.0594,-.0136;-3.6736,-.1664,3.6065;-1.3984,3.6036,1.7507;1.3385,-3.3709,1.5689;1.3961,3.3926,-1.5161;-.0435,-3.4955,3.94;-1.6546,1.1531,-4.0567;-4.0945,-1.6312,1.2605;1.2687,-4.0857,-1.6606;/R:/0/N:5,28,2,14,30,9,41,19,8,21,23,26,17,37,18,39,29,13,15,16,31,38,34,25,32,33,20,22,27,24,40,35,36,12,7,1,11,6,4,3,10/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,14.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">19</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">19</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15141024</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00322945</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00095062</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00322945</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00095062</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01420699</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00339980</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.404003"
                                 y3="-2.287999"
                                 z3="2.792563"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.57108"
                                 y3="-3.698365"
                                 z3="-0.187984"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.007096"
                                 y3="2.268992"
                                 z3="-2.528563"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.032696"
                                 y3="2.372028"
                                 z3="2.779642"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.306487"
                                 y3="-2.583641"
                                 z3="0.029871"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.357778"
                                 y3="2.760685"
                                 z3="-0.044625"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.313687"
                                 y3="2.788977"
                                 z3="0.422982"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.489077"
                                 y3="4.030159"
                                 z3="0.228398"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.504812"
                                 y3="3.951684"
                                 z3="-0.017907"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.546656"
                                 y3="0.042949"
                                 z3="2.330784"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.766579"
                                 y3="-0.045176"
                                 z3="2.363157"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.770288"
                                 y3="0.380883"
                                 z3="-2.301256"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.980562"
                                 y3="-0.892086"
                                 z3="1.050504"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.938341"
                                 y3="-0.989756"
                                 z3="-0.895896"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.98122"
                                 y3="0.973237"
                                 z3="-0.890952"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.923172"
                                 y3="0.997329"
                                 z3="1.00449"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.294114"
                                 y3="-1.115988"
                                 z3="1.037303"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.728645"
                                 y3="-1.188129"
                                 z3="-1.264612"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.035963"
                                 y3="0.240041"
                                 z3="3.49412"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.058639"
                                 y3="1.282908"
                                 z3="1.102022"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.259341"
                                 y3="3.513574"
                                 z3="4.035581"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.290469"
                                 y3="1.111172"
                                 z3="3.076675"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.157714"
                                 y3="0.960006"
                                 z3="-3.236336"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.176119"
                                 y3="-1.253213"
                                 z3="2.763653"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.280822"
                                 y3="2.726428"
                                 z3="-1.153922"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.211288"
                                 y3="3.522671"
                                 z3="-3.674874"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.100258"
                                 y3="3.061926"
                                 z3="1.283911"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.993958"
                                 y3="-3.31802"
                                 z3="-1.132866"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.412564"
                                 y3="-1.513291"
                                 z3="1.41192"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.926917"
                                 y3="-0.052799"
                                 z3="-3.500949"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.578306"
                                 y3="1.72867"
                                 z3="-1.402165"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.377786"
                                 y3="1.570857"
                                 z3="1.378798"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.753535"
                                 y3="-1.402707"
                                 z3="3.611883"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.529859"
                                 y3="1.313549"
                                 z3="-3.360413"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.50223"
                                 y3="1.425071"
                                 z3="3.433014"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.053736"
                                 y3="-0.062065"
                                 z3="-0.015967"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.670626"
                                 y3="-0.164867"
                                 z3="3.606813"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.398179"
                                 y3="3.60196"
                                 z3="1.754023"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.336041"
                                 y3="-3.372459"
                                 z3="1.569666"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.392651"
                                 y3="3.392579"
                                 z3="-1.51317"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.042674"
                                 y3="-3.492995"
                                 z3="3.940993"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.650267"
                                 y3="1.155431"
                                 z3="-4.061086"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.103382"
                                 y3="-1.621572"
                                 z3="1.26174"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.280486"
                                 y3="-4.099937"
                                 z3="-1.655365"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-34(5)21-38(9)27-37(8,17-1)26-36(7,16-1)18-33(4)19-40(11,12,23-34,31-38)24-35(6)22-39(10,28-37,29-38)32-41(13,14,20-33,25-35)30-36/h2,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;4;6;7;11;12;1;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOO1OOOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.404,-2.288,2.7926;3.5711,-3.6984,-.188;.0071,2.269,-2.5286;-.0327,2.372,2.7796;2.3065,-2.5836,.0299;2.3578,2.7607,-.0446;-2.3137,2.789,.423;3.4891,4.0302,.2284;-3.5048,3.9517,-.0179;-2.5467,.0429,2.3308;2.7666,-.0452,2.3632;2.7703,.3809,-2.3013;.9806,-.8921,1.0505;-.9383,-.9898,-.8959;.9812,.9732,-.891;-.9232,.9973,1.0045;-3.2941,-1.116,1.0373;2.7286,-1.1881,-1.2646;4.036,.24,3.4941;3.0586,1.2829,1.102;.2593,3.5136,4.0356;1.2905,1.1112,3.0767;-1.1577,.96,-3.2363;-1.1761,-1.2532,2.7637;-1.2808,2.7264,-1.1539;-.2113,3.5227,-3.6749;1.1003,3.0619,1.2839;.994,-3.318,-1.1329;3.4126,-1.5133,1.4119;3.9269,-.0528,-3.5009;3.5783,1.7287,-1.4022;-3.3778,1.5709,1.3788;1.7535,-1.4027,3.6119;1.5299,1.3135,-3.3604;-1.5022,1.4251,3.433;-.0537,-.0621,-.016;-3.6706,-.1649,3.6068;-1.3982,3.602,1.754;1.336,-3.3725,1.5697;1.3927,3.3926,-1.5132;-.0427,-3.493,3.941;-1.6503,1.1554,-4.0611;-4.1034,-1.6216,1.2617;1.2805,-4.0999,-1.6554;/R:/0/N:5,28,2,14,30,9,41,19,8,21,23,26,17,37,18,39,29,13,15,16,31,38,34,25,32,33,20,22,27,24,40,35,36,12,7,1,11,6,4,3,10/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,14.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">20</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">20</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15155949</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00340015</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00098038</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00340015</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00098038</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01787191</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00441794</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.404846"
                                 y3="-2.288568"
                                 z3="2.791006"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.576571"
                                 y3="-3.690391"
                                 z3="-0.18025"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.005428"
                                 y3="2.269845"
                                 z3="-2.526475"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.030336"
                                 y3="2.371398"
                                 z3="2.78209"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.30485"
                                 y3="-2.582156"
                                 z3="0.030744"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.356929"
                                 y3="2.761604"
                                 z3="-0.042548"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.31504"
                                 y3="2.791349"
                                 z3="0.425616"/>
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                                 id="a8"
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                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-34(5)21-38(9)27-37(8,17-1)26-36(7,16-1)18-33(4)19-40(11,12,23-34,31-38)24-35(6)22-39(10,28-37,29-38)32-41(13,14,20-33,25-35)30-36/h2,11,13H">
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                  </module>
               </module>
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                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15175349</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="gradrms">
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                     </list>
                     <list cmlx:templateRef="cstepmax">
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                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-34(5)21-38(9)27-37(8,17-1)26-36(7,16-1)18-33(4)19-40(11,12,23-34,31-38)24-35(6)22-39(10,28-37,29-38)32-41(13,14,20-33,25-35)30-36/h2,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;4;6;7;11;12;1;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOO1OOOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.406,-2.2892,2.7901;3.5794,-3.6856,-.1764;.0033,2.2709,-2.5255;-.0294,2.3711,2.7843;2.3039,-2.5811,.0307;2.3564,2.7626,-.0415;-2.3157,2.7926,.4279;3.4934,4.0255,.2371;-3.5018,3.9623,-.0088;-2.5458,.0438,2.3278;2.7719,-.045,2.3638;2.7644,.3828,-2.3074;.9833,-.8944,1.0466;-.9328,-1.0063,-.898;.9764,.9717,-.8962;-.9269,.9941,.9993;-3.2971,-1.1056,1.0294;2.7111,-1.1879,-1.2713;4.0342,.2472,3.5011;3.0603,1.2864,1.1042;.2713,3.515,4.0362;1.2931,1.1104,3.0752;-1.1548,.9572,-3.2348;-1.1778,-1.2586,2.7514;-1.2892,2.7184,-1.1541;-.222,3.5258,-3.6699;1.1004,3.0608,1.2882;1.0053,-3.3388,-1.1319;3.4162,-1.5117,1.4139;3.9248,-.0525,-3.5032;3.5688,1.7329,-1.4054;-3.3814,1.579,1.3807;1.7587,-1.4016,3.606;1.5287,1.3142,-3.3672;-1.5015,1.4237,3.4337;-.0564,-.0687,-.0209;-3.6682,-.1649,3.6053;-1.3956,3.5968,1.7632;1.3337,-3.3763,1.5706;1.389,3.3938,-1.5101;-.0413,-3.4909,3.9421;-1.6433,1.1517,-4.0622;-4.1218,-1.5895,1.2464;1.3023,-4.1234,-1.6447;/R:/0/N:5,28,2,14,30,9,41,19,8,21,23,26,17,37,18,39,29,13,15,16,31,38,34,25,32,33,20,22,27,24,40,35,36,12,7,1,11,6,4,3,10/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,14.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">22</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">22</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15183010</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00349974</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00082939</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00349974</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00082939</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00838112</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00171344</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.406523"
                                 y3="-2.290162"
                                 z3="2.789888"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.581503"
                                 y3="-3.682569"
                                 z3="-0.175225"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.0020"
                                 y3="2.273437"
                                 z3="-2.525167"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.029406"
                                 y3="2.371103"
                                 z3="2.78461"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.303918"
                                 y3="-2.580208"
                                 z3="0.030134"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.356574"
                                 y3="2.762075"
                                 z3="-0.041148"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.317191"
                                 y3="2.79242"
                                 z3="0.428437"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.495906"
                                 y3="4.022632"
                                 z3="0.238497"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.501998"
                                 y3="3.963632"
                                 z3="-0.007382"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.545712"
                                 y3="0.042744"
                                 z3="2.328206"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.77293"
                                 y3="-0.045239"
                                 z3="2.364273"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.762334"
                                 y3="0.383389"
                                 z3="-2.309203"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.985269"
                                 y3="-0.894962"
                                 z3="1.046778"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.929301"
                                 y3="-1.010155"
                                 z3="-0.897564"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.97631"
                                 y3="0.97171"
                                 z3="-0.897217"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.927377"
                                 y3="0.993394"
                                 z3="0.998073"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.295907"
                                 y3="-1.104368"
                                 z3="1.026966"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.706121"
                                 y3="-1.186966"
                                 z3="-1.271846"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.033036"
                                 y3="0.249338"
                                 z3="3.503387"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.061091"
                                 y3="1.286268"
                                 z3="1.104794"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.27289"
                                 y3="3.516011"
                                 z3="4.035014"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.292878"
                                 y3="1.110173"
                                 z3="3.074738"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.154781"
                                 y3="0.956881"
                                 z3="-3.232258"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.177002"
                                 y3="-1.258412"
                                 z3="2.748357"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.290481"
                                 y3="2.717223"
                                 z3="-1.15397"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.22383"
                                 y3="3.527338"
                                 z3="-3.670277"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.100932"
                                 y3="3.06036"
                                 z3="1.288597"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.006394"
                                 y3="-3.341362"
                                 z3="-1.131398"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.418182"
                                 y3="-1.512056"
                                 z3="1.415475"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.923817"
                                 y3="-0.053471"
                                 z3="-3.503528"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.566895"
                                 y3="1.732661"
                                 z3="-1.406378"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.381804"
                                 y3="1.579081"
                                 z3="1.382799"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.759154"
                                 y3="-1.401879"
                                 z3="3.604805"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.527316"
                                 y3="1.316415"
                                 z3="-3.368144"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.502088"
                                 y3="1.423956"
                                 z3="3.433718"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.055429"
                                 y3="-0.069634"
                                 z3="-0.020829"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.668661"
                                 y3="-0.166941"
                                 z3="3.604994"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.395386"
                                 y3="3.595461"
                                 z3="1.763416"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.334511"
                                 y3="-3.37647"
                                 z3="1.570726"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.389665"
                                 y3="3.394603"
                                 z3="-1.510358"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.040919"
                                 y3="-3.49007"
                                 z3="3.94337"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.6425"
                                 y3="1.150145"
                                 z3="-4.060459"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.125808"
                                 y3="-1.581105"
                                 z3="1.239589"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.302931"
                                 y3="-4.127721"
                                 z3="-1.641694"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-34(5)21-38(9)27-37(8,17-1)26-36(7,16-1)18-33(4)19-40(11,12,23-34,31-38)24-35(6)22-39(10,28-37,29-38)32-41(13,14,20-33,25-35)30-36/h2,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;4;6;7;11;12;1;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOO1OOOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4065,-2.2902,2.7899;3.5815,-3.6826,-.1752;.002,2.2734,-2.5252;-.0294,2.3711,2.7846;2.3039,-2.5802,.0301;2.3566,2.7621,-.0411;-2.3172,2.7924,.4284;3.4959,4.0226,.2385;-3.502,3.9636,-.0074;-2.5457,.0427,2.3282;2.7729,-.0452,2.3643;2.7623,.3834,-2.3092;.9853,-.895,1.0468;-.9293,-1.0102,-.8976;.9763,.9717,-.8972;-.9274,.9934,.9981;-3.2959,-1.1044,1.027;2.7061,-1.187,-1.2718;4.033,.2493,3.5034;3.0611,1.2863,1.1048;.2729,3.516,4.035;1.2929,1.1102,3.0747;-1.1548,.9569,-3.2323;-1.177,-1.2584,2.7484;-1.2905,2.7172,-1.154;-.2238,3.5273,-3.6703;1.1009,3.0604,1.2886;1.0064,-3.3414,-1.1314;3.4182,-1.5121,1.4155;3.9238,-.0535,-3.5035;3.5669,1.7327,-1.4064;-3.3818,1.5791,1.3828;1.7592,-1.4019,3.6048;1.5273,1.3164,-3.3681;-1.5021,1.424,3.4337;-.0554,-.0696,-.0208;-3.6687,-.1669,3.605;-1.3954,3.5955,1.7634;1.3345,-3.3765,1.5707;1.3897,3.3946,-1.5104;-.0409,-3.4901,3.9434;-1.6425,1.1501,-4.0605;-4.1258,-1.5811,1.2396;1.3029,-4.1277,-1.6417;/R:/0/N:5,28,2,14,30,9,41,19,8,21,23,26,17,37,18,39,29,13,15,16,31,38,34,25,32,33,20,22,27,24,40,35,36,12,7,1,11,6,4,3,10/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,14.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">23</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">23</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15188755</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00335332</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00071217</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00335332</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00071217</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01189982</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00266426</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.408119"
                                 y3="-2.290921"
                                 z3="2.790875"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.583851"
                                 y3="-3.676657"
                                 z3="-0.174409"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.000314"
                                 y3="2.277512"
                                 z3="-2.524572"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.029057"
                                 y3="2.370311"
                                 z3="2.785156"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.302524"
                                 y3="-2.578207"
                                 z3="0.027959"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.355987"
                                 y3="2.761433"
                                 z3="-0.04032"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.318594"
                                 y3="2.792239"
                                 z3="0.42974"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.497059"
                                 y3="4.020098"
                                 z3="0.239698"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.500226"
                                 y3="3.966548"
                                 z3="-0.005212"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.545473"
                                 y3="0.040525"
                                 z3="2.328987"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.774796"
                                 y3="-0.045113"
                                 z3="2.364087"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.759426"
                                 y3="0.385378"
                                 z3="-2.311254"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.988647"
                                 y3="-0.895293"
                                 z3="1.047497"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.923081"
                                 y3="-1.017252"
                                 z3="-0.895521"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.975568"
                                 y3="0.971744"
                                 z3="-0.898048"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.927858"
                                 y3="0.99114"
                                 z3="0.996257"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.295271"
                                 y3="-1.102751"
                                 z3="1.023621"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.698887"
                                 y3="-1.186904"
                                 z3="-1.274751"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.033142"
                                 y3="0.252364"
                                 z3="3.504433"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.061648"
                                 y3="1.28626"
                                 z3="1.104771"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.274162"
                                 y3="3.515563"
                                 z3="4.034745"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.292319"
                                 y3="1.109316"
                                 z3="3.074248"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.154289"
                                 y3="0.956489"
                                 z3="-3.229894"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.177203"
                                 y3="-1.259683"
                                 z3="2.745484"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.293151"
                                 y3="2.715249"
                                 z3="-1.154154"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.225472"
                                 y3="3.530399"
                                 z3="-3.670679"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.101347"
                                 y3="3.059323"
                                 z3="1.288848"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.007238"
                                 y3="-3.346429"
                                 z3="-1.131396"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.420695"
                                 y3="-1.5113"
                                 z3="1.417022"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.923083"
                                 y3="-0.054392"
                                 z3="-3.502298"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.564823"
                                 y3="1.731814"
                                 z3="-1.406185"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.381234"
                                 y3="1.579117"
                                 z3="1.386513"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.760076"
                                 y3="-1.401396"
                                 z3="3.603848"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.525205"
                                 y3="1.321572"
                                 z3="-3.3683"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.502539"
                                 y3="1.424175"
                                 z3="3.432956"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.053532"
                                 y3="-0.071097"
                                 z3="-0.02018"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.669901"
                                 y3="-0.169904"
                                 z3="3.604313"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.393056"
                                 y3="3.594179"
                                 z3="1.762144"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.334713"
                                 y3="-3.375914"
                                 z3="1.570402"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.389929"
                                 y3="3.395424"
                                 z3="-1.510394"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.039936"
                                 y3="-3.487445"
                                 z3="3.947438"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.639113"
                                 y3="1.146911"
                                 z3="-4.060449"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.132495"
                                 y3="-1.569205"
                                 z3="1.229398"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.302051"
                                 y3="-4.136521"
                                 z3="-1.636822"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-34(5)21-38(9)27-37(8,17-1)26-36(7,16-1)18-33(4)19-40(11,12,23-34,31-38)24-35(6)22-39(10,28-37,29-38)32-41(13,14,20-33,25-35)30-36/h2,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;4;6;7;11;12;1;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOO1OOOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4081,-2.2909,2.7909;3.5839,-3.6767,-.1744;-.0003,2.2775,-2.5246;-.0291,2.3703,2.7852;2.3025,-2.5782,.028;2.356,2.7614,-.0403;-2.3186,2.7922,.4297;3.4971,4.0201,.2397;-3.5002,3.9665,-.0052;-2.5455,.0405,2.329;2.7748,-.0451,2.3641;2.7594,.3854,-2.3113;.9886,-.8953,1.0475;-.9231,-1.0173,-.8955;.9756,.9717,-.898;-.9279,.9911,.9963;-3.2953,-1.1028,1.0236;2.6989,-1.1869,-1.2748;4.0331,.2524,3.5044;3.0616,1.2863,1.1048;.2742,3.5156,4.0347;1.2923,1.1093,3.0742;-1.1543,.9565,-3.2299;-1.1772,-1.2597,2.7455;-1.2932,2.7152,-1.1542;-.2255,3.5304,-3.6707;1.1013,3.0593,1.2888;1.0072,-3.3464,-1.1314;3.4207,-1.5113,1.417;3.9231,-.0544,-3.5023;3.5648,1.7318,-1.4062;-3.3812,1.5791,1.3865;1.7601,-1.4014,3.6038;1.5252,1.3216,-3.3683;-1.5025,1.4242,3.433;-.0535,-.0711,-.0202;-3.6699,-.1699,3.6043;-1.3931,3.5942,1.7621;1.3347,-3.3759,1.5704;1.3899,3.3954,-1.5104;-.0399,-3.4874,3.9474;-1.6391,1.1469,-4.0604;-4.1325,-1.5692,1.2294;1.3021,-4.1365,-1.6368;/R:/0/N:5,28,2,14,30,9,41,19,8,21,23,26,17,37,18,39,29,13,15,16,31,38,34,25,32,33,20,22,27,24,40,35,36,12,7,1,11,6,4,3,10/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,14.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">24</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">24</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15193890</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00314493</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00061722</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00314493</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00061722</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01745907</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00366278</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.409663"
                                 y3="-2.292234"
                                 z3="2.792009"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.586635"
                                 y3="-3.668824"
                                 z3="-0.174214"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.003355"
                                 y3="2.281848"
                                 z3="-2.523813"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.028444"
                                 y3="2.36919"
                                 z3="2.78644"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.300374"
                                 y3="-2.575642"
                                 z3="0.025074"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.354905"
                                 y3="2.761118"
                                 z3="-0.03981"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.319696"
                                 y3="2.792504"
                                 z3="0.431996"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.496761"
                                 y3="4.019377"
                                 z3="0.239057"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.497832"
                                 y3="3.970902"
                                 z3="-0.00082"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.544709"
                                 y3="0.03783"
                                 z3="2.329896"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.776988"
                                 y3="-0.045187"
                                 z3="2.363494"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.7555"
                                 y3="0.387536"
                                 z3="-2.313097"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.992396"
                                 y3="-0.894953"
                                 z3="1.048336"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.915652"
                                 y3="-1.023564"
                                 z3="-0.893878"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.974612"
                                 y3="0.971911"
                                 z3="-0.897964"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.927996"
                                 y3="0.988497"
                                 z3="0.994405"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.29621"
                                 y3="-1.099028"
                                 z3="1.019469"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.69005"
                                 y3="-1.188082"
                                 z3="-1.279099"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.034366"
                                 y3="0.254324"
                                 z3="3.504689"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.062252"
                                 y3="1.286491"
                                 z3="1.103784"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.274713"
                                 y3="3.513986"
                                 z3="4.0364"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.291482"
                                 y3="1.107688"
                                 z3="3.074306"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.152481"
                                 y3="0.955588"
                                 z3="-3.229109"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.17794"
                                 y3="-1.262424"
                                 z3="2.742264"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.297214"
                                 y3="2.713201"
                                 z3="-1.154494"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.2290"
                                 y3="3.533825"
                                 z3="-3.670664"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.101285"
                                 y3="3.058936"
                                 z3="1.288972"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.009318"
                                 y3="-3.356628"
                                 z3="-1.130346"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.423502"
                                 y3="-1.508768"
                                 z3="1.41754"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.921579"
                                 y3="-0.054591"
                                 z3="-3.500724"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.5631"
                                 y3="1.730024"
                                 z3="-1.405698"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.380117"
                                 y3="1.580074"
                                 z3="1.39143"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.7604"
                                 y3="-1.400929"
                                 z3="3.603861"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.523364"
                                 y3="1.327968"
                                 z3="-3.368154"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.502008"
                                 y3="1.423147"
                                 z3="3.432441"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.051236"
                                 y3="-0.072019"
                                 z3="-0.019124"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.6713"
                                 y3="-0.17385"
                                 z3="3.603055"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.389599"
                                 y3="3.593851"
                                 z3="1.760733"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.336183"
                                 y3="-3.374844"
                                 z3="1.570848"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.388379"
                                 y3="3.396185"
                                 z3="-1.509996"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.038187"
                                 y3="-3.485359"
                                 z3="3.95194"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.632163"
                                 y3="1.142362"
                                 z3="-4.063486"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.143124"
                                 y3="-1.551746"
                                 z3="1.216622"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.303953"
                                 y3="-4.15099"
                                 z3="-1.62897"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-34(5)21-38(9)27-37(8,17-1)26-36(7,16-1)18-33(4)19-40(11,12,23-34,31-38)24-35(6)22-39(10,28-37,29-38)32-41(13,14,20-33,25-35)30-36/h2,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;4;6;7;11;12;1;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOO1OOOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s1;;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4097,-2.2922,2.792;3.5866,-3.6688,-.1742;-.0034,2.2818,-2.5238;-.0284,2.3692,2.7864;2.3004,-2.5756,.0251;2.3549,2.7611,-.0398;-2.3197,2.7925,.432;3.4968,4.0194,.2391;-3.4978,3.9709,-.0008;-2.5447,.0378,2.3299;2.777,-.0452,2.3635;2.7555,.3875,-2.3131;.9924,-.895,1.0483;-.9157,-1.0236,-.8939;.9746,.9719,-.898;-.928,.9885,.9944;-3.2962,-1.099,1.0195;2.69,-1.1881,-1.2791;4.0344,.2543,3.5047;3.0623,1.2865,1.1038;.2747,3.514,4.0364;1.2915,1.1077,3.0743;-1.1525,.9556,-3.2291;-1.1779,-1.2624,2.7423;-1.2972,2.7132,-1.1545;-.229,3.5338,-3.6707;1.1013,3.0589,1.289;1.0093,-3.3566,-1.1303;3.4235,-1.5088,1.4175;3.9216,-.0546,-3.5007;3.5631,1.73,-1.4057;-3.3801,1.5801,1.3914;1.7604,-1.4009,3.6039;1.5234,1.328,-3.3682;-1.502,1.4231,3.4324;-.0512,-.072,-.0191;-3.6713,-.1739,3.6031;-1.3896,3.5939,1.7607;1.3362,-3.3748,1.5708;1.3884,3.3962,-1.51;-.0382,-3.4854,3.9519;-1.6322,1.1424,-4.0635;-4.1431,-1.5517,1.2166;1.304,-4.151,-1.629;/R:/0/N:5,28,2,14,30,9,41,19,8,21,23,26,17,37,18,39,29,13,15,16,31,38,34,25,32,33,20,22,27,24,40,35,36,12,7,1,11,6,4,3,10/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,14.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">25</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">25</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15200620</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00311068</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00065938</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00311068</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00065938</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01713251</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00370821</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.411395"
                                 y3="-2.293447"
                                 z3="2.793432"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.587831"
                                 y3="-3.662138"
                                 z3="-0.174769"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.005723"
                                 y3="2.286011"
                                 z3="-2.523147"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.027943"
                                 y3="2.368221"
                                 z3="2.787429"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.297314"
                                 y3="-2.573362"
                                 z3="0.02202"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.35419"
                                 y3="2.760884"
                                 z3="-0.039369"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.321056"
                                 y3="2.792679"
                                 z3="0.434066"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.495316"
                                 y3="4.02031"
                                 z3="0.237447"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.496219"
                                 y3="3.975089"
                                 z3="0.004221"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.543578"
                                 y3="0.035209"
                                 z3="2.330897"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.778981"
                                 y3="-0.045331"
                                 z3="2.362712"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.751965"
                                 y3="0.38993"
                                 z3="-2.314391"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.995761"
                                 y3="-0.893797"
                                 z3="1.049189"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.908417"
                                 y3="-1.029922"
                                 z3="-0.892908"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.974303"
                                 y3="0.97244"
                                 z3="-0.897203"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.927975"
                                 y3="0.986115"
                                 z3="0.992831"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.296781"
                                 y3="-1.094552"
                                 z3="1.015273"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.681808"
                                 y3="-1.189644"
                                 z3="-1.283663"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.0366"
                                 y3="0.25487"
                                 z3="3.503824"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.06272"
                                 y3="1.2869"
                                 z3="1.102495"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.274295"
                                 y3="3.511431"
                                 z3="4.039054"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.290822"
                                 y3="1.106155"
                                 z3="3.074083"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.149265"
                                 y3="0.954885"
                                 z3="-3.229311"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.178191"
                                 y3="-1.26544"
                                 z3="2.739931"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.301779"
                                 y3="2.712723"
                                 z3="-1.155259"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.234174"
                                 y3="3.536425"
                                 z3="-3.67097"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.101077"
                                 y3="3.059028"
                                 z3="1.289165"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.009901"
                                 y3="-3.367308"
                                 z3="-1.12827"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.425311"
                                 y3="-1.505825"
                                 z3="1.416904"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.920609"
                                 y3="-0.053246"
                                 z3="-3.499185"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.562375"
                                 y3="1.728686"
                                 z3="-1.405174"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.379059"
                                 y3="1.581277"
                                 z3="1.395821"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.761015"
                                 y3="-1.400505"
                                 z3="3.604672"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.523091"
                                 y3="1.334174"
                                 z3="-3.368131"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.501251"
                                 y3="1.421321"
                                 z3="3.431925"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.049267"
                                 y3="-0.072667"
                                 z3="-0.0186"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.672508"
                                 y3="-0.178045"
                                 z3="3.6018"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.387162"
                                 y3="3.593779"
                                 z3="1.759942"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.336908"
                                 y3="-3.374511"
                                 z3="1.571707"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.38609"
                                 y3="3.396646"
                                 z3="-1.509167"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.035324"
                                 y3="-3.483646"
                                 z3="3.956833"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.622853"
                                 y3="1.138092"
                                 z3="-4.067951"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.152141"
                                 y3="-1.534613"
                                 z3="1.204409"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.304487"
                                 y3="-4.166579"
                                 z3="-1.619013"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2/p-3/rH3MoO31SiW8/c2-1(3)16-34(6)21-37(9,18-1)28-38(10)22-35(7,17-1)25-41(14,15,31-38)20-33(4,5)19-40(12,13,24-34)26-36(8,27-41)23-39(11,29-37,30-38)32-40/h2,12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1OOOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4114,-2.2934,2.7934;3.5878,-3.6621,-.1748;-.0057,2.286,-2.5231;-.0279,2.3682,2.7874;2.2973,-2.5734,.022;2.3542,2.7609,-.0394;-2.3211,2.7927,.4341;3.4953,4.0203,.2374;-3.4962,3.9751,.0042;-2.5436,.0352,2.3309;2.779,-.0453,2.3627;2.752,.3899,-2.3144;.9958,-.8938,1.0492;-.9084,-1.0299,-.8929;.9743,.9724,-.8972;-.928,.9861,.9928;-3.2968,-1.0946,1.0153;2.6818,-1.1896,-1.2837;4.0366,.2549,3.5038;3.0627,1.2869,1.1025;.2743,3.5114,4.0391;1.2908,1.1062,3.0741;-1.1493,.9549,-3.2293;-1.1782,-1.2654,2.7399;-1.3018,2.7127,-1.1553;-.2342,3.5364,-3.671;1.1011,3.059,1.2892;1.0099,-3.3673,-1.1283;3.4253,-1.5058,1.4169;3.9206,-.0532,-3.4992;3.5624,1.7287,-1.4052;-3.3791,1.5813,1.3958;1.761,-1.4005,3.6047;1.5231,1.3342,-3.3681;-1.5013,1.4213,3.4319;-.0493,-.0727,-.0186;-3.6725,-.178,3.6018;-1.3872,3.5938,1.7599;1.3369,-3.3745,1.5717;1.3861,3.3966,-1.5092;-.0353,-3.4836,3.9568;-1.6229,1.1381,-4.068;-4.1521,-1.5346,1.2044;1.3045,-4.1666,-1.619;/R:/0/N:5,28,2,13,14,41,30,9,19,8,21,17,37,23,26,39,18,29,16,15,33,31,38,24,34,32,25,20,22,27,40,35,36,1,12,7,11,6,4,10,3/E:(4,5)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">26</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">26</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15206955</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00308477</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00073085</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00308477</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00073085</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01962939</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00431837</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.413553"
                                 y3="-2.294802"
                                 z3="2.795246"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.588775"
                                 y3="-3.654744"
                                 z3="-0.174203"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.008228"
                                 y3="2.290417"
                                 z3="-2.522083"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.027245"
                                 y3="2.367238"
                                 z3="2.788829"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.293314"
                                 y3="-2.570994"
                                 z3="0.018794"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.353613"
                                 y3="2.76068"
                                 z3="-0.03889"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.322341"
                                 y3="2.79336"
                                 z3="0.436678"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.493377"
                                 y3="4.021995"
                                 z3="0.235168"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.494492"
                                 y3="3.980173"
                                 z3="0.010454"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.54199"
                                 y3="0.032507"
                                 z3="2.331277"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.781235"
                                 y3="-0.045456"
                                 z3="2.361956"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.747761"
                                 y3="0.39235"
                                 z3="-2.316287"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.999296"
                                 y3="-0.892139"
                                 z3="1.050207"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.900015"
                                 y3="-1.037207"
                                 z3="-0.89235"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.974241"
                                 y3="0.973166"
                                 z3="-0.896319"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.928018"
                                 y3="0.983928"
                                 z3="0.991158"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.296672"
                                 y3="-1.088732"
                                 z3="1.009452"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.672806"
                                 y3="-1.19243"
                                 z3="-1.289841"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.039451"
                                 y3="0.255029"
                                 z3="3.502815"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.063146"
                                 y3="1.287893"
                                 z3="1.101304"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.273795"
                                 y3="3.507849"
                                 z3="4.043157"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.290431"
                                 y3="1.104907"
                                 z3="3.073697"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.145044"
                                 y3="0.953941"
                                 z3="-3.229566"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.178709"
                                 y3="-1.269692"
                                 z3="2.737546"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.306859"
                                 y3="2.712052"
                                 z3="-1.155793"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.241395"
                                 y3="3.539311"
                                 z3="-3.670568"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.101037"
                                 y3="3.059247"
                                 z3="1.289933"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.010097"
                                 y3="-3.379581"
                                 z3="-1.125333"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.426499"
                                 y3="-1.502333"
                                 z3="1.416032"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.918757"
                                 y3="-0.051504"
                                 z3="-3.498688"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.561519"
                                 y3="1.727678"
                                 z3="-1.405358"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.378363"
                                 y3="1.583253"
                                 z3="1.399555"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.762038"
                                 y3="-1.399757"
                                 z3="3.606128"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.523162"
                                 y3="1.340659"
                                 z3="-3.368757"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.500709"
                                 y3="1.418853"
                                 z3="3.431333"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.047383"
                                 y3="-0.073393"
                                 z3="-0.018472"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.673536"
                                 y3="-0.182676"
                                 z3="3.599664"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.384943"
                                 y3="3.593654"
                                 z3="1.760429"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.337262"
                                 y3="-3.374394"
                                 z3="1.573115"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.382955"
                                 y3="3.396922"
                                 z3="-1.508033"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.031379"
                                 y3="-3.482165"
                                 z3="3.962292"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.611664"
                                 y3="1.132983"
                                 z3="-4.072981"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.160961"
                                 y3="-1.514984"
                                 z3="1.189497"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.305324"
                                 y3="-4.184363"
                                 z3="-1.606594"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)17-34(7)21-37(10,11)22-36(9)25-40(14)30-38(12,19-1,29-39(13,23-34,28-37)31-40)24-35(8,18-1)26-41(15,16,27-36,32-40)20-33(4,5)6/h2,10,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1OOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4136,-2.2948,2.7952;3.5888,-3.6547,-.1742;-.0082,2.2904,-2.5221;-.0272,2.3672,2.7888;2.2933,-2.571,.0188;2.3536,2.7607,-.0389;-2.3223,2.7934,.4367;3.4934,4.022,.2352;-3.4945,3.9802,.0105;-2.542,.0325,2.3313;2.7812,-.0455,2.362;2.7478,.3923,-2.3163;.9993,-.8921,1.0502;-.9,-1.0372,-.8923;.9742,.9732,-.8963;-.928,.9839,.9912;-3.2967,-1.0887,1.0095;2.6728,-1.1924,-1.2898;4.0395,.255,3.5028;3.0631,1.2879,1.1013;.2738,3.5078,4.0432;1.2904,1.1049,3.0737;-1.145,.9539,-3.2296;-1.1787,-1.2697,2.7375;-1.3069,2.7121,-1.1558;-.2414,3.5393,-3.6706;1.101,3.0592,1.2899;1.0101,-3.3796,-1.1253;3.4265,-1.5023,1.416;3.9188,-.0515,-3.4987;3.5615,1.7277,-1.4054;-3.3784,1.5833,1.3996;1.762,-1.3998,3.6061;1.5232,1.3407,-3.3688;-1.5007,1.4189,3.4313;-.0474,-.0734,-.0185;-3.6735,-.1827,3.5997;-1.3849,3.5937,1.7604;1.3373,-3.3744,1.5731;1.383,3.3969,-1.508;-.0314,-3.4822,3.9623;-1.6117,1.133,-4.073;-4.161,-1.515,1.1895;1.3053,-4.1844,-1.6066;/R:/0/N:5,28,2,13,14,15,30,41,9,23,26,19,8,21,17,37,18,39,29,16,34,25,31,33,38,24,32,40,20,22,27,35,36,12,1,7,3,11,6,4,10/E:(4,5,6)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,11.1,12.1,13.1,14.1,16.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">27</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">27</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15212313</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00321734</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00082986</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00321734</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00082986</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00888612</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00180252</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.414634"
                                 y3="-2.295027"
                                 z3="2.796397"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.586309"
                                 y3="-3.652285"
                                 z3="-0.174785"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.008233"
                                 y3="2.291305"
                                 z3="-2.522082"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.027553"
                                 y3="2.367563"
                                 z3="2.78942"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.289406"
                                 y3="-2.569965"
                                 z3="0.016858"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.35421"
                                 y3="2.761091"
                                 z3="-0.038944"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.322901"
                                 y3="2.793981"
                                 z3="0.43765"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.493023"
                                 y3="4.023522"
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                           <bond atomRefs2="a1 a41" order="S"/>
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                           <bond atomRefs2="a6 a8" order="S"/>
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                           <bond atomRefs2="a7 a32" order="S"/>
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                           <bond atomRefs2="a10 a24" order="S"/>
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                           <bond atomRefs2="a10 a16" order="S"/>
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                           <bond atomRefs2="a11 a20" order="S"/>
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                           <bond atomRefs2="a11 a29" order="S"/>
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                           <bond atomRefs2="a23 a42" order="S"/>
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                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)17-34(7)21-37(10,11)22-36(9)25-40(14)30-38(12,19-1,29-39(13,23-34,28-37)31-40)24-35(8,18-1)26-41(15,16,27-36,32-40)20-33(4,5)6/h2,10,15H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">28</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15214744</scalar>
                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:current">0.00234144</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00069519</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
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                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00069519</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00491495</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)17-34(7)21-37(10,11)22-36(9)25-40(14)30-38(12,19-1,29-39(13,23-34,28-37)31-40)24-35(8,18-1)26-41(15,16,27-36,32-40)20-33(4,5)6/h2,10,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1OOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4141,-2.2951,2.7971;3.5878,-3.6513,-.171;-.009,2.2926,-2.5215;-.027,2.3673,2.7894;2.2891,-2.5703,.0169;2.3536,2.7602,-.0388;-2.3226,2.7949,.4382;3.4923,4.0228,.2342;-3.4944,3.9828,.0138;-2.5412,.0319,2.3303;2.7816,-.0458,2.3616;2.7459,.3931,-2.3179;1.0007,-.8906,1.0513;-.8977,-1.039,-.8925;.975,.9744,-.8961;-.9282,.9845,.9914;-3.2947,-1.0858,1.0054;2.6669,-1.1932,-1.292;4.0406,.2542,3.502;3.063,1.2886,1.1012;.2737,3.5059,4.0458;1.2907,1.1057,3.073;-1.1427,.9538,-3.2294;-1.1773,-1.2695,2.7344;-1.3057,2.7094,-1.1531;-.2461,3.5407,-3.6702;1.1015,3.0599,1.2909;1.0105,-3.3886,-1.1248;3.427,-1.5035,1.4152;3.9167,-.0505,-3.5008;3.5617,1.7277,-1.4066;-3.3793,1.5849,1.3993;1.7621,-1.399,3.6076;1.5237,1.3434,-3.3702;-1.5016,1.4178,3.4315;-.0472,-.073,-.019;-3.6742,-.185,3.5973;-1.3848,3.5944,1.762;1.3354,-3.3742,1.5744;1.3814,3.3974,-1.5076;-.0287,-3.4816,3.9659;-1.608,1.1311,-4.0738;-4.1605,-1.5102,1.1823;1.3095,-4.1945,-1.6019;/R:/0/N:5,28,2,13,14,15,30,41,9,23,26,19,8,21,17,37,18,39,29,16,34,25,31,33,38,24,32,40,20,22,27,35,36,12,1,7,3,11,6,4,10/E:(4,5,6)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,11.1,12.1,13.1,14.1,16.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">29</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">29</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15218845</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00242796</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00063152</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00242796</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00063152</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01067979</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00207441</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.414298"
                                 y3="-2.296253"
                                 z3="2.798609"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.587915"
                                 y3="-3.646502"
                                 z3="-0.167891"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.00926"
                                 y3="2.295072"
                                 z3="-2.521278"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.026384"
                                 y3="2.36707"
                                 z3="2.789185"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.285219"
                                 y3="-2.569355"
                                 z3="0.014688"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.353382"
                                 y3="2.759678"
                                 z3="-0.037971"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.323803"
                                 y3="2.795978"
                                 z3="0.438948"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.49176"
                                 y3="4.022807"
                                 z3="0.234207"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.495734"
                                 y3="3.984794"
                                 z3="0.016689"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.540392"
                                 y3="0.031639"
                                 z3="2.330353"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.781901"
                                 y3="-0.046018"
                                 z3="2.360662"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.744651"
                                 y3="0.394021"
                                 z3="-2.31894"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.002106"
                                 y3="-0.889679"
                                 z3="1.051762"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.893939"
                                 y3="-1.042773"
                                 z3="-0.892799"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.975105"
                                 y3="0.975649"
                                 z3="-0.89632"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.928995"
                                 y3="0.983876"
                                 z3="0.991334"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.294515"
                                 y3="-1.083797"
                                 z3="1.004217"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.660703"
                                 y3="-1.193809"
                                 z3="-1.294549"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.041042"
                                 y3="0.253944"
                                 z3="3.501023"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.062175"
                                 y3="1.289578"
                                 z3="1.101676"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.274225"
                                 y3="3.504573"
                                 z3="4.046538"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.291367"
                                 y3="1.106448"
                                 z3="3.071866"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.140376"
                                 y3="0.954479"
                                 z3="-3.229875"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.178985"
                                 y3="-1.272626"
                                 z3="2.734551"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.308208"
                                 y3="2.709943"
                                 z3="-1.154138"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.24806"
                                 y3="3.543428"
                                 z3="-3.669507"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.102381"
                                 y3="3.060407"
                                 z3="1.29168"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.011832"
                                 y3="-3.397886"
                                 z3="-1.125015"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.427148"
                                 y3="-1.503384"
                                 z3="1.414453"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.915317"
                                 y3="-0.049501"
                                 z3="-3.502024"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.561288"
                                 y3="1.727363"
                                 z3="-1.406588"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.379116"
                                 y3="1.586586"
                                 z3="1.400269"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.762106"
                                 y3="-1.398437"
                                 z3="3.607888"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.525003"
                                 y3="1.346481"
                                 z3="-3.370804"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.501384"
                                 y3="1.417539"
                                 z3="3.431155"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.047254"
                                 y3="-0.073309"
                                 z3="-0.019632"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.673882"
                                 y3="-0.184493"
                                 z3="3.597185"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.384337"
                                 y3="3.594059"
                                 z3="1.762627"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.334155"
                                 y3="-3.373658"
                                 z3="1.574567"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.3809"
                                 y3="3.397918"
                                 z3="-1.507004"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.02605"
                                 y3="-3.482645"
                                 z3="3.968547"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.603574"
                                 y3="1.129889"
                                 z3="-4.075847"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.162273"
                                 y3="-1.505195"
                                 z3="1.178728"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.314046"
                                 y3="-4.205199"
                                 z3="-1.597626"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)17-34(7)21-37(10,11)22-36(9)25-40(14)30-38(12,19-1,29-39(13,23-34,28-37)31-40)24-35(8,18-1)26-41(15,16,27-36,32-40)20-33(4,5)6/h2,10,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1OOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4143,-2.2963,2.7986;3.5879,-3.6465,-.1679;-.0093,2.2951,-2.5213;-.0264,2.3671,2.7892;2.2852,-2.5694,.0147;2.3534,2.7597,-.038;-2.3238,2.796,.4389;3.4918,4.0228,.2342;-3.4957,3.9848,.0167;-2.5404,.0316,2.3304;2.7819,-.046,2.3607;2.7447,.394,-2.3189;1.0021,-.8897,1.0518;-.8939,-1.0428,-.8928;.9751,.9756,-.8963;-.929,.9839,.9913;-3.2945,-1.0838,1.0042;2.6607,-1.1938,-1.2945;4.041,.2539,3.501;3.0622,1.2896,1.1017;.2742,3.5046,4.0465;1.2914,1.1064,3.0719;-1.1404,.9545,-3.2299;-1.179,-1.2726,2.7346;-1.3082,2.7099,-1.1541;-.2481,3.5434,-3.6695;1.1024,3.0604,1.2917;1.0118,-3.3979,-1.125;3.4271,-1.5034,1.4145;3.9153,-.0495,-3.502;3.5613,1.7274,-1.4066;-3.3791,1.5866,1.4003;1.7621,-1.3984,3.6079;1.525,1.3465,-3.3708;-1.5014,1.4175,3.4312;-.0473,-.0733,-.0196;-3.6739,-.1845,3.5972;-1.3843,3.5941,1.7626;1.3342,-3.3737,1.5746;1.3809,3.3979,-1.507;-.0261,-3.4826,3.9685;-1.6036,1.1299,-4.0758;-4.1623,-1.5052,1.1787;1.314,-4.2052,-1.5976;/R:/0/N:5,28,2,13,14,15,30,41,9,23,26,19,8,21,17,37,18,39,29,16,34,25,31,33,38,24,32,40,20,22,27,35,36,12,1,7,3,11,6,4,10/E:(4,5,6)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,11.1,12.1,13.1,14.1,16.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">30</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">30</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15224722</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00204063</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00056250</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00204063</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00056250</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03290909</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00680203</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.415792"
                                 y3="-2.29765"
                                 z3="2.804777"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.583668"
                                 y3="-3.63241"
                                 z3="-0.160134"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.011331"
                                 y3="2.303502"
                                 z3="-2.519672"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.02507"
                                 y3="2.366177"
                                 z3="2.789563"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.27053"
                                 y3="-2.565455"
                                 z3="0.007235"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.353104"
                                 y3="2.75864"
                                 z3="-0.036491"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.326809"
                                 y3="2.799721"
                                 z3="0.442411"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.490322"
                                 y3="4.023868"
                                 z3="0.23114"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.498248"
                                 y3="3.990911"
                                 z3="0.025111"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.537252"
                                 y3="0.02942"
                                 z3="2.328464"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.784366"
                                 y3="-0.047367"
                                 z3="2.358939"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.739322"
                                 y3="0.39764"
                                 z3="-2.322543"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.008721"
                                 y3="-0.884512"
                                 z3="1.055377"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.877415"
                                 y3="-1.053778"
                                 z3="-0.891144"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.976727"
                                 y3="0.980615"
                                 z3="-0.895382"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.929626"
                                 y3="0.982999"
                                 z3="0.991346"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.289831"
                                 y3="-1.076319"
                                 z3="0.994234"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.638987"
                                 y3="-1.194444"
                                 z3="-1.301917"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.044852"
                                 y3="0.251153"
                                 z3="3.49873"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.062234"
                                 y3="1.292686"
                                 z3="1.102384"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.273876"
                                 y3="3.498871"
                                 z3="4.051635"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.293827"
                                 y3="1.108129"
                                 z3="3.069692"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.133367"
                                 y3="0.954348"
                                 z3="-3.226844"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.178279"
                                 y3="-1.276671"
                                 z3="2.728392"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.312757"
                                 y3="2.708879"
                                 z3="-1.153194"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.258143"
                                 y3="3.549732"
                                 z3="-3.668547"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.104178"
                                 y3="3.063633"
                                 z3="1.294652"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.012884"
                                 y3="-3.425262"
                                 z3="-1.125474"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.427956"
                                 y3="-1.504657"
                                 z3="1.41285"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.908856"
                                 y3="-0.048268"
                                 z3="-3.505926"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.560633"
                                 y3="1.727033"
                                 z3="-1.408117"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.380024"
                                 y3="1.590151"
                                 z3="1.401133"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.763214"
                                 y3="-1.396005"
                                 z3="3.610947"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.52715"
                                 y3="1.3561"
                                 z3="-3.373239"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.502084"
                                 y3="1.414551"
                                 z3="3.429851"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.044053"
                                 y3="-0.072147"
                                 z3="-0.019445"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.674321"
                                 y3="-0.188956"
                                 z3="3.591894"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.383557"
                                 y3="3.593957"
                                 z3="1.766388"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.325913"
                                 y3="-3.372325"
                                 z3="1.575501"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.378459"
                                 y3="3.399741"
                                 z3="-1.506531"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.019464"
                                 y3="-3.481613"
                                 z3="3.979021"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.590962"
                                 y3="1.121969"
                                 z3="-4.077424"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.163442"
                                 y3="-1.489779"
                                 z3="1.15856"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.323966"
                                 y3="-4.238108"
                                 z3="-1.582605"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)17-34(7)21-37(10,11)22-36(9)25-40(14)30-38(12,19-1,29-39(13,23-34,28-37)31-40)24-35(8,18-1)26-41(15,16,27-36,32-40)20-33(4,5)6/h2,10,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1OOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4158,-2.2976,2.8048;3.5837,-3.6324,-.1601;-.0113,2.3035,-2.5197;-.0251,2.3662,2.7896;2.2705,-2.5655,.0072;2.3531,2.7586,-.0365;-2.3268,2.7997,.4424;3.4903,4.0239,.2311;-3.4982,3.9909,.0251;-2.5373,.0294,2.3285;2.7844,-.0474,2.3589;2.7393,.3976,-2.3225;1.0087,-.8845,1.0554;-.8774,-1.0538,-.8911;.9767,.9806,-.8954;-.9296,.983,.9913;-3.2898,-1.0763,.9942;2.639,-1.1944,-1.3019;4.0449,.2512,3.4987;3.0622,1.2927,1.1024;.2739,3.4989,4.0516;1.2938,1.1081,3.0697;-1.1334,.9543,-3.2268;-1.1783,-1.2767,2.7284;-1.3128,2.7089,-1.1532;-.2581,3.5497,-3.6685;1.1042,3.0636,1.2947;1.0129,-3.4253,-1.1255;3.428,-1.5047,1.4128;3.9089,-.0483,-3.5059;3.5606,1.727,-1.4081;-3.38,1.5902,1.4011;1.7632,-1.396,3.6109;1.5272,1.3561,-3.3732;-1.5021,1.4146,3.4299;-.0441,-.0721,-.0194;-3.6743,-.189,3.5919;-1.3836,3.594,1.7664;1.3259,-3.3723,1.5755;1.3785,3.3997,-1.5065;-.0195,-3.4816,3.979;-1.591,1.122,-4.0774;-4.1634,-1.4898,1.1586;1.324,-4.2381,-1.5826;/R:/0/N:5,28,2,13,14,15,30,41,9,23,26,19,8,21,17,37,18,39,29,16,34,25,31,33,38,24,32,40,20,22,27,35,36,12,1,7,3,11,6,4,10/E:(4,5,6)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,11.1,12.1,13.1,14.1,16.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">31</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">31</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15236928</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00369661</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00079913</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00369661</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00079913</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01865373</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00405651</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.416335"
                                 y3="-2.298616"
                                 z3="2.808549"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.579873"
                                 y3="-3.623633"
                                 z3="-0.156733"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.012651"
                                 y3="2.308445"
                                 z3="-2.518434"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.024278"
                                 y3="2.365809"
                                 z3="2.789573"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.261075"
                                 y3="-2.562392"
                                 z3="0.002349"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.353029"
                                 y3="2.758254"
                                 z3="-0.035577"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.328168"
                                 y3="2.802056"
                                 z3="0.444193"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.489653"
                                 y3="4.024597"
                                 z3="0.229019"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.499034"
                                 y3="3.994414"
                                 z3="0.029001"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.535457"
                                 y3="0.028522"
                                 z3="2.327213"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.785945"
                                 y3="-0.048416"
                                 z3="2.358091"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.736404"
                                 y3="0.400323"
                                 z3="-2.324579"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.013135"
                                 y3="-0.881082"
                                 z3="1.05773"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.865483"
                                 y3="-1.061285"
                                 z3="-0.889456"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.977738"
                                 y3="0.983869"
                                 z3="-0.894532"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.929584"
                                 y3="0.982148"
                                 z3="0.991393"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.286657"
                                 y3="-1.071996"
                                 z3="0.9881"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.625613"
                                 y3="-1.19374"
                                 z3="-1.306108"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.047353"
                                 y3="0.248968"
                                 z3="3.497558"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.062754"
                                 y3="1.294862"
                                 z3="1.1028"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.273176"
                                 y3="3.496019"
                                 z3="4.054134"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.295489"
                                 y3="1.109098"
                                 z3="3.069084"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.128864"
                                 y3="0.95314"
                                 z3="-3.223657"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.179089"
                                 y3="-1.280151"
                                 z3="2.726254"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.314682"
                                 y3="2.707556"
                                 z3="-1.151864"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.264513"
                                 y3="3.552849"
                                 z3="-3.668056"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.105248"
                                 y3="3.065895"
                                 z3="1.296308"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.013159"
                                 y3="-3.439905"
                                 z3="-1.126865"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.427958"
                                 y3="-1.505047"
                                 z3="1.411953"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.904892"
                                 y3="-0.047789"
                                 z3="-3.508147"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.5604"
                                 y3="1.727209"
                                 z3="-1.408847"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.380332"
                                 y3="1.592238"
                                 z3="1.400999"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.764159"
                                 y3="-1.394949"
                                 z3="3.612366"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.528018"
                                 y3="1.361813"
                                 z3="-3.374706"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.502507"
                                 y3="1.412992"
                                 z3="3.428816"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.041154"
                                 y3="-0.071326"
                                 z3="-0.018631"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.674967"
                                 y3="-0.19122"
                                 z3="3.588262"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.38284"
                                 y3="3.593848"
                                 z3="1.768293"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.319682"
                                 y3="-3.371222"
                                 z3="1.574875"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.37689"
                                 y3="3.401044"
                                 z3="-1.506441"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.016165"
                                 y3="-3.481283"
                                 z3="3.984991"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.583825"
                                 y3="1.115525"
                                 z3="-4.076649"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.163012"
                                 y3="-1.48198"
                                 z3="1.146574"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.328784"
                                 y3="-4.256762"
                                 z3="-1.573596"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)17-34(7)21-37(10,11)22-36(9)25-40(14)30-38(12,19-1,29-39(13,23-34,28-37)31-40)24-35(8,18-1)26-41(15,16,27-36,32-40)20-33(4,5)6/h2,10,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1OOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4163,-2.2986,2.8085;3.5799,-3.6236,-.1567;-.0127,2.3084,-2.5184;-.0243,2.3658,2.7896;2.2611,-2.5624,.0023;2.353,2.7583,-.0356;-2.3282,2.8021,.4442;3.4897,4.0246,.229;-3.499,3.9944,.029;-2.5355,.0285,2.3272;2.7859,-.0484,2.3581;2.7364,.4003,-2.3246;1.0131,-.8811,1.0577;-.8655,-1.0613,-.8895;.9777,.9839,-.8945;-.9296,.9821,.9914;-3.2867,-1.072,.9881;2.6256,-1.1937,-1.3061;4.0474,.249,3.4976;3.0628,1.2949,1.1028;.2732,3.496,4.0541;1.2955,1.1091,3.0691;-1.1289,.9531,-3.2237;-1.1791,-1.2802,2.7263;-1.3147,2.7076,-1.1519;-.2645,3.5528,-3.6681;1.1052,3.0659,1.2963;1.0132,-3.4399,-1.1269;3.428,-1.505,1.412;3.9049,-.0478,-3.5081;3.5604,1.7272,-1.4088;-3.3803,1.5922,1.401;1.7642,-1.3949,3.6124;1.528,1.3618,-3.3747;-1.5025,1.413,3.4288;-.0412,-.0713,-.0186;-3.675,-.1912,3.5883;-1.3828,3.5938,1.7683;1.3197,-3.3712,1.5749;1.3769,3.401,-1.5064;-.0162,-3.4813,3.985;-1.5838,1.1155,-4.0766;-4.163,-1.482,1.1466;1.3288,-4.2568,-1.5736;/R:/0/N:5,28,2,13,14,15,30,41,9,23,26,19,8,21,17,37,18,39,29,16,34,25,31,33,38,24,32,40,20,22,27,35,36,12,1,7,3,11,6,4,10/E:(4,5,6)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,11.1,12.1,13.1,14.1,16.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">32</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">32</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15242127</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00447635</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00096786</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00447635</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00096786</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04191810</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00939506</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 x3="0.417711"
                                 y3="-2.299729"
                                 z3="2.818019"/>
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                                 y3="-3.603512"
                                 z3="-0.149766"/>
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                                 x3="-0.015554"
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                                 z3="-2.515134"/>
                           <atom elementType="W"
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                                 z3="2.789152"/>
                           <atom elementType="Mo"
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                                 x3="2.238217"
                                 y3="-2.555153"
                                 z3="-0.00838"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.352961"
                                 y3="2.75694"
                                 z3="-0.033361"/>
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                                 id="a7"
                                 x3="-2.332124"
                                 y3="2.806811"
                                 z3="0.447798"/>
                           <atom elementType="O"
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                                 x3="3.489187"
                                 y3="4.024797"
                                 z3="0.224519"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.501775"
                                 y3="4.001454"
                                 z3="0.03702"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.531113"
                                 y3="0.026073"
                                 z3="2.324209"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.790249"
                                 y3="-0.050781"
                                 z3="2.356284"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.729403"
                                 y3="0.406349"
                                 z3="-2.329621"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.024124"
                                 y3="-0.872909"
                                 z3="1.063426"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.835883"
                                 y3="-1.080346"
                                 z3="-0.884409"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.979443"
                                 y3="0.991147"
                                 z3="-0.89254"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.929208"
                                 y3="0.97916"
                                 z3="0.990755"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.279059"
                                 y3="-1.062501"
                                 z3="0.973651"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.595975"
                                 y3="-1.193402"
                                 z3="-1.317292"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.053471"
                                 y3="0.244505"
                                 z3="3.495299"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.065111"
                                 y3="1.299663"
                                 z3="1.103786"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.270988"
                                 y3="3.489693"
                                 z3="4.058782"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.2995"
                                 y3="1.11122"
                                 z3="3.067613"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.118702"
                                 y3="0.951436"
                                 z3="-3.215635"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.179737"
                                 y3="-1.286983"
                                 z3="2.7204"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.320589"
                                 y3="2.70636"
                                 z3="-1.149959"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.277868"
                                 y3="3.56134"
                                 z3="-3.666328"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.107436"
                                 y3="3.07108"
                                 z3="1.300048"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.013641"
                                 y3="-3.472005"
                                 z3="-1.130572"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.427784"
                                 y3="-1.505646"
                                 z3="1.410497"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.895316"
                                 y3="-0.047545"
                                 z3="-3.5134"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.559123"
                                 y3="1.727184"
                                 z3="-1.410596"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.381037"
                                 y3="1.595612"
                                 z3="1.400779"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.766999"
                                 y3="-1.391839"
                                 z3="3.615415"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.529356"
                                 y3="1.375621"
                                 z3="-3.377228"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.503002"
                                 y3="1.408502"
                                 z3="3.426005"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.033461"
                                 y3="-0.069857"
                                 z3="-0.016359"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.676025"
                                 y3="-0.197449"
                                 z3="3.579737"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.381836"
                                 y3="3.592614"
                                 z3="1.77236"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.303112"
                                 y3="-3.368497"
                                 z3="1.57346"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.373821"
                                 y3="3.404154"
                                 z3="-1.505946"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.009136"
                                 y3="-3.478738"
                                 z3="3.999785"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.567511"
                                 y3="1.102002"
                                 z3="-4.073985"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.161252"
                                 y3="-1.464776"
                                 z3="1.11898"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.338765"
                                 y3="-4.29868"
                                 z3="-1.551667"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)17-34(7)21-37(10,11)22-36(9)25-40(14)30-38(12,19-1,29-39(13,23-34,28-37)31-40)24-35(8,18-1)26-41(15,16,27-36,32-40)20-33(4,5)6/h2,10,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1OOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4177,-2.2997,2.818;3.5693,-3.6035,-.1498;-.0156,2.3208,-2.5151;-.0226,2.3645,2.7892;2.2382,-2.5552,-.0084;2.353,2.7569,-.0334;-2.3321,2.8068,.4478;3.4892,4.0248,.2245;-3.5018,4.0015,.037;-2.5311,.0261,2.3242;2.7902,-.0508,2.3563;2.7294,.4063,-2.3296;1.0241,-.8729,1.0634;-.8359,-1.0803,-.8844;.9794,.9911,-.8925;-.9292,.9792,.9908;-3.2791,-1.0625,.9737;2.596,-1.1934,-1.3173;4.0535,.2445,3.4953;3.0651,1.2997,1.1038;.271,3.4897,4.0588;1.2995,1.1112,3.0676;-1.1187,.9514,-3.2156;-1.1797,-1.287,2.7204;-1.3206,2.7064,-1.15;-.2779,3.5613,-3.6663;1.1074,3.0711,1.3;1.0136,-3.472,-1.1306;3.4278,-1.5056,1.4105;3.8953,-.0475,-3.5134;3.5591,1.7272,-1.4106;-3.381,1.5956,1.4008;1.767,-1.3918,3.6154;1.5294,1.3756,-3.3772;-1.503,1.4085,3.426;-.0335,-.0699,-.0164;-3.676,-.1974,3.5797;-1.3818,3.5926,1.7724;1.3031,-3.3685,1.5735;1.3738,3.4042,-1.5059;-.0091,-3.4787,3.9998;-1.5675,1.102,-4.074;-4.1613,-1.4648,1.119;1.3388,-4.2987,-1.5517;/R:/0/N:5,28,2,13,14,15,30,41,9,23,26,19,8,21,17,37,18,39,29,16,34,25,31,33,38,24,32,40,20,22,27,35,36,12,1,7,3,11,6,4,10/E:(4,5,6)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,11.1,12.1,13.1,14.1,16.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">33</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">33</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15251171</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00568458</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00132616</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00568458</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00132616</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06427055</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01557622</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.419695"
                                 y3="-2.301555"
                                 z3="2.83398"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.550048"
                                 y3="-3.569297"
                                 z3="-0.139905"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.020649"
                                 y3="2.341296"
                                 z3="-2.509176"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.019877"
                                 y3="2.362135"
                                 z3="2.788035"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.198955"
                                 y3="-2.543215"
                                 z3="-0.025594"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.352927"
                                 y3="2.754375"
                                 z3="-0.029757"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.339078"
                                 y3="2.814598"
                                 z3="0.453659"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.488973"
                                 y3="4.024423"
                                 z3="0.216487"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.506538"
                                 y3="4.013285"
                                 z3="0.050791"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.523956"
                                 y3="0.021887"
                                 z3="2.319306"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.797545"
                                 y3="-0.054938"
                                 z3="2.353067"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.71725"
                                 y3="0.415846"
                                 z3="-2.337479"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.042906"
                                 y3="-0.85951"
                                 z3="1.072823"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.783827"
                                 y3="-1.1133"
                                 z3="-0.874819"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.981638"
                                 y3="1.002763"
                                 z3="-0.888758"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.928278"
                                 y3="0.973327"
                                 z3="0.98903"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.266266"
                                 y3="-1.046388"
                                 z3="0.949465"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.546497"
                                 y3="-1.193024"
                                 z3="-1.335837"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.063688"
                                 y3="0.237622"
                                 z3="3.49127"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.069422"
                                 y3="1.307324"
                                 z3="1.105133"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.267205"
                                 y3="3.479511"
                                 z3="4.065557"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.305934"
                                 y3="1.1145"
                                 z3="3.065092"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.101122"
                                 y3="0.948012"
                                 z3="-3.201468"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.180915"
                                 y3="-1.298656"
                                 z3="2.711267"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.33158"
                                 y3="2.705996"
                                 z3="-1.147446"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.300146"
                                 y3="3.574395"
                                 z3="-3.663702"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.11107"
                                 y3="3.079556"
                                 z3="1.3059"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="1.015427"
                                 y3="-3.521103"
                                 z3="-1.138106"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.427131"
                                 y3="-1.506363"
                                 z3="1.407907"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.878956"
                                 y3="-0.048106"
                                 z3="-3.521318"/>
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                                 id="a31"
                                 x3="3.556606"
                                 y3="1.726195"
                                 z3="-1.41302"/>
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                                 id="a32"
                                 x3="-3.381878"
                                 y3="1.60072"
                                 z3="1.400943"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.772109"
                                 y3="-1.386873"
                                 z3="3.620113"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.530795"
                                 y3="1.398059"
                                 z3="-3.380523"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.503556"
                                 y3="1.400621"
                                 z3="3.42113"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.020056"
                                 y3="-0.068053"
                                 z3="-0.012169"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.677833"
                                 y3="-0.208616"
                                 z3="3.565406"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.380171"
                                 y3="3.590069"
                                 z3="1.778603"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.274121"
                                 y3="-3.364182"
                                 z3="1.571153"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.368685"
                                 y3="3.409226"
                                 z3="-1.505299"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.002149"
                                 y3="-3.474231"
                                 z3="4.02464"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.538374"
                                 y3="1.078635"
                                 z3="-4.068951"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-4.157687"
                                 y3="-1.435313"
                                 z3="1.073059"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.355554"
                                 y3="-4.362951"
                                 z3="-1.514889"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)17-34(7)21-37(10,11)22-36(9)25-40(14)30-38(12,19-1,29-39(13,23-34,28-37)31-40)24-35(8,18-1)26-41(15,16,27-36,32-40)20-33(4,5)6/h2,10,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO1O1O1OOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;;;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4197,-2.3016,2.834;3.55,-3.5693,-.1399;-.0206,2.3413,-2.5092;-.0199,2.3621,2.788;2.199,-2.5432,-.0256;2.3529,2.7544,-.0298;-2.3391,2.8146,.4537;3.489,4.0244,.2165;-3.5065,4.0133,.0508;-2.524,.0219,2.3193;2.7975,-.0549,2.3531;2.7172,.4158,-2.3375;1.0429,-.8595,1.0728;-.7838,-1.1133,-.8748;.9816,1.0028,-.8888;-.9283,.9733,.989;-3.2663,-1.0464,.9495;2.5465,-1.193,-1.3358;4.0637,.2376,3.4913;3.0694,1.3073,1.1051;.2672,3.4795,4.0656;1.3059,1.1145,3.0651;-1.1011,.948,-3.2015;-1.1809,-1.2987,2.7113;-1.3316,2.706,-1.1474;-.3001,3.5744,-3.6637;1.1111,3.0796,1.3059;1.0154,-3.5211,-1.1381;3.4271,-1.5064,1.4079;3.879,-.0481,-3.5213;3.5566,1.7262,-1.413;-3.3819,1.6007,1.4009;1.7721,-1.3869,3.6201;1.5308,1.3981,-3.3805;-1.5036,1.4006,3.4211;-.0201,-.0681,-.0122;-3.6778,-.2086,3.5654;-1.3802,3.5901,1.7786;1.2741,-3.3642,1.5712;1.3687,3.4092,-1.5053;.0021,-3.4742,4.0246;-1.5384,1.0786,-4.069;-4.1577,-1.4353,1.0731;1.3556,-4.363,-1.5149;/R:/0/N:5,28,2,13,14,15,30,41,9,23,26,19,8,21,17,37,18,39,29,16,34,25,31,33,38,24,32,40,20,22,27,35,36,12,1,7,3,11,6,4,10/E:(4,5,6)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,11.1,12.1,13.1,14.1,16.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">34</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">34</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15260732</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00687934</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00197868</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00687934</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00197868</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01546895</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00303127</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.418658"
                                 y3="-2.300514"
                                 z3="2.835101"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.542908"
                                 y3="-3.576911"
                                 z3="-0.146101"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.018962"
                                 y3="2.342289"
                                 z3="-2.509681"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.020763"
                                 y3="2.362465"
                                 z3="2.785813"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.197706"
                                 y3="-2.543275"
                                 z3="-0.026136"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.353507"
                                 y3="2.754676"
                                 z3="-0.029785"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.339013"
                                 y3="2.814737"
                                 z3="0.451384"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.490767"
                                 y3="4.023362"
                                 z3="0.217642"/>
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                           <bond atomRefs2="a6 a8" order="S"/>
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                           <bond atomRefs2="a6 a20" order="S"/>
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                           <bond atomRefs2="a7 a9" order="S"/>
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                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
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                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
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                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)17-34(7)21-37(10,11)22-36(9)25-40(14)30-38(12,19-1,29-39(13,23-34,28-37)31-40)24-35(8,18-1)26-41(15,16,27-36,32-40)20-33(4,5)6/h2,10,15H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">35</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15267019</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00180309</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00597085</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00180309</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10308104</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-34(6)20-37(9,10)21-36(8)23-39(12)28-38(11,22-34,27-37)30-41(15,18-1,31-39)26-35(7,17-1)24-40(13,14,25-36,29-39)19-33(4,5)32(1)41/h2,9,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3O1O1OOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4166,-2.2972,2.8614;3.4889,-3.5571,-.1625;-.0184,2.3752,-2.502;-.0211,2.359,2.7751;2.1381,-2.5277,-.0472;2.3552,2.75,-.0246;-2.3502,2.8269,.4493;3.5001,4.0125,.2179;-3.5226,4.0204,.052;-2.5206,.0245,2.3095;2.8055,-.0612,2.3528;2.7132,.4307,-2.3473;1.075,-.8353,1.0887;-.6746,-1.182,-.8465;.9853,1.0212,-.8805;-.919,.9631,.9814;-3.2223,-1.0422,.9133;2.5084,-1.1866,-1.3631;4.073,.2293,3.4931;3.083,1.3188,1.1102;.2522,3.4819,4.0497;1.3135,1.1233,3.0668;-1.0865,.9476,-3.1508;-1.1782,-1.3013,2.7151;-1.3377,2.7305,-1.1441;-.3161,3.5871,-3.6734;1.1123,3.0924,1.3083;.9863,-3.5528,-1.1506;3.4205,-1.5056,1.4067;3.8617,-.0485,-3.5372;3.5575,1.7303,-1.4141;-3.3825,1.5952,1.387;1.7828,-1.3801,3.6207;1.5283,1.4254,-3.3786;-1.5038,1.3884,3.4094;.0131,-.0665,.0005;-3.6885,-.2265,3.5377;-1.3876,3.5846,1.7793;1.208,-3.3518,1.5561;1.3699,3.4229,-1.5041;.0098,-3.4662,4.0582;-1.5345,1.0549,-4.0157;-4.0966,-1.4705,1.0263;1.3364,-4.4186,-1.4583;/R:/0/N:5,28,2,14,15,30,41,9,23,26,8,21,17,37,19,18,39,29,16,34,25,31,38,24,32,33,40,27,35,20,22,13,36,12,1,7,3,6,4,10,11/E:(4,5)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,14.1,15.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">36</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">36</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15311174</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01044393</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00224680</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01044393</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00224680</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.28707831</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05667881</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.409666"
                                 y3="-2.292991"
                                 z3="2.928715"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.347559"
                                 y3="-3.486184"
                                 z3="-0.19245"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.019234"
                                 y3="2.449104"
                                 z3="-2.482864"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.019749"
                                 y3="2.34841"
                                 z3="2.74949"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.973817"
                                 y3="-2.477966"
                                 z3="-0.094968"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.35858"
                                 y3="2.733712"
                                 z3="-0.014488"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.376574"
                                 y3="2.856472"
                                 z3="0.446454"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.51825"
                                 y3="3.985228"
                                 z3="0.209735"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.549294"
                                 y3="4.052032"
                                 z3="0.069599"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.509154"
                                 y3="0.025371"
                                 z3="2.286362"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.826923"
                                 y3="-0.078475"
                                 z3="2.347975"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.689349"
                                 y3="0.458457"
                                 z3="-2.370449"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.152841"
                                 y3="-0.779977"
                                 z3="1.130597"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.387557"
                                 y3="-1.337736"
                                 z3="-0.764532"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.991141"
                                 y3="1.057354"
                                 z3="-0.859905"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.900481"
                                 y3="0.932039"
                                 z3="0.958111"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.119546"
                                 y3="-1.01908"
                                 z3="0.8245"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.369745"
                                 y3="-1.167155"
                                 z3="-1.422124"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.102172"
                                 y3="0.210642"
                                 z3="3.487782"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.107585"
                                 y3="1.344761"
                                 z3="1.118854"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.222824"
                                 y3="3.476391"
                                 z3="4.023762"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.328727"
                                 y3="1.140286"
                                 z3="3.066837"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.03427"
                                 y3="0.932917"
                                 z3="-3.031697"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.17837"
                                 y3="-1.321677"
                                 z3="2.71511"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.357035"
                                 y3="2.767484"
                                 z3="-1.133665"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.374906"
                                 y3="3.611307"
                                 z3="-3.686298"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.116498"
                                 y3="3.117351"
                                 z3="1.312543"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.939553"
                                 y3="-3.619628"
                                 z3="-1.20157"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.409268"
                                 y3="-1.502678"
                                 z3="1.397466"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.81332"
                                 y3="-0.062653"
                                 z3="-3.565584"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.555825"
                                 y3="1.726115"
                                 z3="-1.41814"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.381989"
                                 y3="1.591353"
                                 z3="1.362649"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.808613"
                                 y3="-1.367461"
                                 z3="3.62767"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.522039"
                                 y3="1.486239"
                                 z3="-3.379389"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.50494"
                                 y3="1.356295"
                                 z3="3.380359"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.087101"
                                 y3="-0.068923"
                                 z3="0.030327"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.711242"
                                 y3="-0.275321"
                                 z3="3.469097"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.395824"
                                 y3="3.570902"
                                 z3="1.780632"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.047165"
                                 y3="-3.31717"
                                 z3="1.534043"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.363746"
                                 y3="3.445606"
                                 z3="-1.504286"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.029607"
                                 y3="-3.447398"
                                 z3="4.145851"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.489007"
                                 y3="0.97546"
                                 z3="-3.898241"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.972034"
                                 y3="-1.496894"
                                 z3="0.89225"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.322791"
                                 y3="-4.513223"
                                 z3="-1.350518"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-34(6)20-37(9,10)21-36(8)23-39(12)28-38(11,22-34,27-37)30-41(15,18-1,31-39)26-35(7,17-1)24-40(13,14,25-36,29-39)19-33(4,5)32(1)41/h2,9,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3O1O1OOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4097,-2.293,2.9287;3.3476,-3.4862,-.1925;-.0192,2.4491,-2.4829;-.0197,2.3484,2.7495;1.9738,-2.478,-.095;2.3586,2.7337,-.0145;-2.3766,2.8565,.4465;3.5183,3.9852,.2097;-3.5493,4.052,.0696;-2.5092,.0254,2.2864;2.8269,-.0785,2.348;2.6893,.4585,-2.3704;1.1528,-.78,1.1306;-.3876,-1.3377,-.7645;.9911,1.0574,-.8599;-.9005,.932,.9581;-3.1195,-1.0191,.8245;2.3697,-1.1672,-1.4221;4.1022,.2106,3.4878;3.1076,1.3448,1.1189;.2228,3.4764,4.0238;1.3287,1.1403,3.0668;-1.0343,.9329,-3.0317;-1.1784,-1.3217,2.7151;-1.357,2.7675,-1.1337;-.3749,3.6113,-3.6863;1.1165,3.1174,1.3125;.9396,-3.6196,-1.2016;3.4093,-1.5027,1.3975;3.8133,-.0627,-3.5656;3.5558,1.7261,-1.4181;-3.382,1.5914,1.3626;1.8086,-1.3675,3.6277;1.522,1.4862,-3.3794;-1.5049,1.3563,3.3804;.0871,-.0689,.0303;-3.7112,-.2753,3.4691;-1.3958,3.5709,1.7806;1.0472,-3.3172,1.534;1.3637,3.4456,-1.5043;.0296,-3.4474,4.1459;-1.489,.9755,-3.8982;-3.972,-1.4969,.8922;1.3228,-4.5132,-1.3505;/R:/0/N:5,28,2,14,15,30,41,9,23,26,8,21,17,37,19,18,39,29,16,34,25,31,38,24,32,33,40,27,35,20,22,13,36,12,1,7,3,6,4,10,11/E:(4,5)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,14.1,15.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">37</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">37</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15371645</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02715185</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00599216</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02715185</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00599216</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.15697223</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03264604</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.40277"
                                 y3="-2.277479"
                                 z3="2.958809"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.244535"
                                 y3="-3.494943"
                                 z3="-0.23863"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.005566"
                                 y3="2.464902"
                                 z3="-2.476751"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.023137"
                                 y3="2.341158"
                                 z3="2.734542"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.897188"
                                 y3="-2.447052"
                                 z3="-0.108274"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.36324"
                                 y3="2.727279"
                                 z3="-0.010426"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.38723"
                                 y3="2.87428"
                                 z3="0.433116"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.525011"
                                 y3="3.975478"
                                 z3="0.221295"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.560289"
                                 y3="4.071082"
                                 z3="0.064973"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.51327"
                                 y3="0.037944"
                                 z3="2.268355"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.838176"
                                 y3="-0.083296"
                                 z3="2.354055"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.703205"
                                 y3="0.467214"
                                 z3="-2.37832"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.178479"
                                 y3="-0.752626"
                                 z3="1.149414"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.230585"
                                 y3="-1.421703"
                                 z3="-0.704501"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.987138"
                                 y3="1.062702"
                                 z3="-0.853462"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.892772"
                                 y3="0.911476"
                                 z3="0.934325"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.054909"
                                 y3="-1.033553"
                                 z3="0.792528"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.351122"
                                 y3="-1.155397"
                                 z3="-1.455074"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.120038"
                                 y3="0.203977"
                                 z3="3.491287"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.120233"
                                 y3="1.355245"
                                 z3="1.126843"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.20244"
                                 y3="3.482491"
                                 z3="3.999094"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.327009"
                                 y3="1.146602"
                                 z3="3.073605"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.025181"
                                 y3="0.9211"
                                 z3="-2.954078"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.17134"
                                 y3="-1.310433"
                                 z3="2.721095"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.360962"
                                 y3="2.800679"
                                 z3="-1.134211"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.3747"
                                 y3="3.597568"
                                 z3="-3.70459"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.105189"
                                 y3="3.115806"
                                 z3="1.301734"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.862646"
                                 y3="-3.594399"
                                 z3="-1.221277"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.410593"
                                 y3="-1.487954"
                                 z3="1.381865"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.82482"
                                 y3="-0.059933"
                                 z3="-3.573478"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.564553"
                                 y3="1.728005"
                                 z3="-1.411746"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.379857"
                                 y3="1.581415"
                                 z3="1.341125"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.826065"
                                 y3="-1.36295"
                                 z3="3.628839"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.520505"
                                 y3="1.496519"
                                 z3="-3.373665"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.505001"
                                 y3="1.335556"
                                 z3="3.366798"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.120954"
                                 y3="-0.073869"
                                 z3="0.045623"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.727707"
                                 y3="-0.298576"
                                 z3="3.42901"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.404199"
                                 y3="3.567009"
                                 z3="1.771476"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.963295"
                                 y3="-3.283592"
                                 z3="1.518086"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.364015"
                                 y3="3.453503"
                                 z3="-1.501072"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.0269"
                                 y3="-3.435201"
                                 z3="4.17451"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.513898"
                                 y3="0.950637"
                                 z3="-3.802811"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.853666"
                                 y3="-1.593699"
                                 z3="0.876889"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.26765"
                                 y3="-4.484272"
                                 z3="-1.331323"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)17-34(6)20-37(9,10)21-36(8)23-39(12)28-38(11,22-34,27-37)30-41(15,16,31-39)26-35(7,18-1)24-40(13,14,25-36,29-39)19-33(4,5)32(1)41/h2,9,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3O1O1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4028,-2.2775,2.9588;3.2445,-3.4949,-.2386;-.0056,2.4649,-2.4768;-.0231,2.3412,2.7345;1.8972,-2.4471,-.1083;2.3632,2.7273,-.0104;-2.3872,2.8743,.4331;3.525,3.9755,.2213;-3.5603,4.0711,.065;-2.5133,.0379,2.2684;2.8382,-.0833,2.3541;2.7032,.4672,-2.3783;1.1785,-.7526,1.1494;-.2306,-1.4217,-.7045;.9871,1.0627,-.8535;-.8928,.9115,.9343;-3.0549,-1.0336,.7925;2.3511,-1.1554,-1.4551;4.12,.204,3.4913;3.1202,1.3552,1.1268;.2024,3.4825,3.9991;1.327,1.1466,3.0736;-1.0252,.9211,-2.9541;-1.1713,-1.3104,2.7211;-1.361,2.8007,-1.1342;-.3747,3.5976,-3.7046;1.1052,3.1158,1.3017;.8626,-3.5944,-1.2213;3.4106,-1.488,1.3819;3.8248,-.0599,-3.5735;3.5646,1.728,-1.4117;-3.3799,1.5814,1.3411;1.8261,-1.363,3.6288;1.5205,1.4965,-3.3737;-1.505,1.3356,3.3668;.121,-.0739,.0456;-3.7277,-.2986,3.429;-1.4042,3.567,1.7715;.9633,-3.2836,1.5181;1.364,3.4535,-1.5011;.0269,-3.4352,4.1745;-1.5139,.9506,-3.8028;-3.8537,-1.5937,.8769;1.2676,-4.4843,-1.3313;/R:/0/N:5,28,2,14,15,30,41,9,23,26,8,21,17,37,19,29,18,39,16,34,25,31,38,24,32,33,40,27,35,20,22,13,36,12,1,7,3,6,4,10,11/E:(4,5)(15,16)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,14.1,15.1,16.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">38</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">38</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15433277</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04029727</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00821080</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04029727</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00821080</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.26646696</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06619090</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.387039"
                                 y3="-2.250526"
                                 z3="2.905801"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.256547"
                                 y3="-3.643061"
                                 z3="-0.321079"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.022164"
                                 y3="2.3574"
                                 z3="-2.482519"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.035292"
                                 y3="2.341841"
                                 z3="2.757563"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="2.02312"
                                 y3="-2.474937"
                                 z3="-0.055209"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.371175"
                                 y3="2.756095"
                                 z3="-0.024938"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.355488"
                                 y3="2.883752"
                                 z3="0.410534"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.51138"
                                 y3="4.015249"
                                 z3="0.255987"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.524499"
                                 y3="4.086549"
                                 z3="0.033294"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.550919"
                                 y3="0.080938"
                                 z3="2.26065"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.830583"
                                 y3="-0.0655"
                                 z3="2.386398"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.783817"
                                 y3="0.435867"
                                 z3="-2.355064"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.089253"
                                 y3="-0.781903"
                                 z3="1.118221"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.421505"
                                 y3="-1.38134"
                                 z3="-0.738644"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.960692"
                                 y3="1.008532"
                                 z3="-0.874251"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.910322"
                                 y3="0.924013"
                                 z3="0.911785"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.110993"
                                 y3="-1.096142"
                                 z3="0.868919"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.617589"
                                 y3="-1.159196"
                                 z3="-1.409068"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.110257"
                                 y3="0.222463"
                                 z3="3.521928"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.111245"
                                 y3="1.338126"
                                 z3="1.128544"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.209521"
                                 y3="3.514214"
                                 z3="3.99143"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.28721"
                                 y3="1.123619"
                                 z3="3.103156"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.114267"
                                 y3="0.898512"
                                 z3="-2.963956"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.169731"
                                 y3="-1.249642"
                                 z3="2.740795"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.323594"
                                 y3="2.836821"
                                 z3="-1.136537"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.264073"
                                 y3="3.483027"
                                 z3="-3.743141"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.065998"
                                 y3="3.064879"
                                 z3="1.263762"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.783098"
                                 y3="-3.44563"
                                 z3="-1.168537"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.444352"
                                 y3="-1.441285"
                                 z3="1.35636"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.939991"
                                 y3="-0.025788"
                                 z3="-3.5468"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.583596"
                                 y3="1.747391"
                                 z3="-1.399312"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.36661"
                                 y3="1.574051"
                                 z3="1.334248"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.821384"
                                 y3="-1.381845"
                                 z3="3.617849"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.50337"
                                 y3="1.39171"
                                 z3="-3.347321"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.51057"
                                 y3="1.34259"
                                 z3="3.397576"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.07088"
                                 y3="-0.069631"
                                 z3="0.027178"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.743548"
                                 y3="-0.255743"
                                 z3="3.446197"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.403893"
                                 y3="3.595506"
                                 z3="1.754792"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.05902"
                                 y3="-3.281422"
                                 z3="1.493365"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.369219"
                                 y3="3.441091"
                                 z3="-1.500648"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.035699"
                                 y3="-3.451032"
                                 z3="4.069675"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.682719"
                                 y3="1.026057"
                                 z3="-3.753698"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.789944"
                                 y3="-1.764261"
                                 z3="1.094886"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.234667"
                                 y3="-4.25271"
                                 z3="-1.504571"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-34(5)20-37(8)27-38(9)21-36(7)24-39(10,11,22-34,28-37)18-33(4)19-40(12,13,25-36,29-38)23-35(6,16-1)26-41(14,17-1,30-37,31-38)32(1)33/h2,10,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3O1OOOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.387,-2.2505,2.9058;3.2565,-3.6431,-.3211;.0222,2.3574,-2.4825;-.0353,2.3418,2.7576;2.0231,-2.4749,-.0552;2.3712,2.7561,-.0249;-2.3555,2.8838,.4105;3.5114,4.0152,.256;-3.5245,4.0865,.0333;-2.5509,.0809,2.2607;2.8306,-.0655,2.3864;2.7838,.4359,-2.3551;1.0893,-.7819,1.1182;-.4215,-1.3813,-.7386;.9607,1.0085,-.8743;-.9103,.924,.9118;-3.111,-1.0961,.8689;2.6176,-1.1592,-1.4091;4.1103,.2225,3.5219;3.1112,1.3381,1.1285;.2095,3.5142,3.9914;1.2872,1.1236,3.1032;-1.1143,.8985,-2.964;-1.1697,-1.2496,2.7408;-1.3236,2.8368,-1.1365;-.2641,3.483,-3.7431;1.066,3.0649,1.2638;.7831,-3.4456,-1.1685;3.4444,-1.4413,1.3564;3.94,-.0258,-3.5468;3.5836,1.7474,-1.3993;-3.3666,1.5741,1.3342;1.8214,-1.3818,3.6178;1.5034,1.3917,-3.3473;-1.5106,1.3426,3.3976;.0709,-.0696,.0272;-3.7435,-.2557,3.4462;-1.4039,3.5955,1.7548;1.059,-3.2814,1.4934;1.3692,3.4411,-1.5006;-.0357,-3.451,4.0697;-1.6827,1.0261,-3.7537;-3.7899,-1.7643,1.0949;1.2347,-4.2527,-1.5046;/R:/0/N:5,28,2,14,30,41,9,8,21,23,26,17,37,19,18,39,29,15,16,31,38,34,24,25,32,33,27,40,35,20,22,13,36,12,1,7,6,4,3,10,11/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,11.1,13.1,14.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">39</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">39</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.14299698</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04947725</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01261124</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04947725</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01261124</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.15147454</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03090912</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 x3="0.370677"
                                 y3="-2.265636"
                                 z3="2.912333"/>
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                                 y3="-3.606694"
                                 z3="-0.230128"/>
                           <atom elementType="W"
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                                 x3="0.022483"
                                 y3="2.402126"
                                 z3="-2.493499"/>
                           <atom elementType="W"
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                                 x3="-0.030221"
                                 y3="2.345462"
                                 z3="2.739665"/>
                           <atom elementType="Mo"
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                                 x3="1.99606"
                                 y3="-2.49313"
                                 z3="-0.064922"/>
                           <atom elementType="W"
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                                 x3="2.363551"
                                 y3="2.736066"
                                 z3="-0.020971"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.368631"
                                 y3="2.886251"
                                 z3="0.413948"/>
                           <atom elementType="O"
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                                 x3="3.513162"
                                 y3="3.986878"
                                 z3="0.255007"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.549965"
                                 y3="4.072689"
                                 z3="0.028597"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.548756"
                                 y3="0.083675"
                                 z3="2.277404"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.808355"
                                 y3="-0.07853"
                                 z3="2.366343"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.756767"
                                 y3="0.435682"
                                 z3="-2.367308"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.105547"
                                 y3="-0.777875"
                                 z3="1.128447"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.403084"
                                 y3="-1.32936"
                                 z3="-0.770392"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.982868"
                                 y3="1.035678"
                                 z3="-0.878832"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.917952"
                                 y3="0.951767"
                                 z3="0.935223"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.104281"
                                 y3="-1.087611"
                                 z3="0.882737"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.558659"
                                 y3="-1.159894"
                                 z3="-1.388965"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.086364"
                                 y3="0.206945"
                                 z3="3.500011"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.092526"
                                 y3="1.328965"
                                 z3="1.12528"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.229585"
                                 y3="3.505851"
                                 z3="3.982145"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.302822"
                                 y3="1.129508"
                                 z3="3.076755"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.119251"
                                 y3="0.94934"
                                 z3="-2.967439"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.170515"
                                 y3="-1.242983"
                                 z3="2.748888"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.312922"
                                 y3="2.850699"
                                 z3="-1.133824"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.289389"
                                 y3="3.53982"
                                 z3="-3.735944"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.079291"
                                 y3="3.079235"
                                 z3="1.275675"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.899629"
                                 y3="-3.56814"
                                 z3="-1.215569"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.408584"
                                 y3="-1.488143"
                                 z3="1.371764"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.889095"
                                 y3="-0.04355"
                                 z3="-3.573322"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.573762"
                                 y3="1.743569"
                                 z3="-1.414556"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.385105"
                                 y3="1.590088"
                                 z3="1.327966"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.804734"
                                 y3="-1.38703"
                                 z3="3.611224"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.512082"
                                 y3="1.411579"
                                 z3="-3.367418"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.50741"
                                 y3="1.359254"
                                 z3="3.389571"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.073339"
                                 y3="-0.05448"
                                 z3="0.023407"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.736232"
                                 y3="-0.237393"
                                 z3="3.472195"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.415115"
                                 y3="3.591146"
                                 z3="1.77205"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="1.027835"
                                 y3="-3.295553"
                                 z3="1.509726"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.380536"
                                 y3="3.443942"
                                 z3="-1.503719"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.039065"
                                 y3="-3.453399"
                                 z3="4.089023"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.692185"
                                 y3="1.064216"
                                 z3="-3.75434"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.784259"
                                 y3="-1.763446"
                                 z3="1.086106"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.386141"
                                 y3="-4.378885"
                                 z3="-1.494742"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-34(6)20-37(9,10)21-36(8)23-39(12)28-38(11,22-34,27-37)30-41(15,18-1,31-39)26-35(7,17-1)24-40(13,14,25-36,29-39)19-33(4,5)32(1)41/h2,9,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3O1O1OOOO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3707,-2.2656,2.9123;3.2834,-3.6067,-.2301;.0225,2.4021,-2.4935;-.0302,2.3455,2.7397;1.9961,-2.4931,-.0649;2.3636,2.7361,-.021;-2.3686,2.8863,.4139;3.5132,3.9869,.255;-3.55,4.0727,.0286;-2.5488,.0837,2.2774;2.8084,-.0785,2.3663;2.7568,.4357,-2.3673;1.1055,-.7779,1.1284;-.4031,-1.3294,-.7704;.9829,1.0357,-.8788;-.918,.9518,.9352;-3.1043,-1.0876,.8827;2.5587,-1.1599,-1.389;4.0864,.2069,3.5;3.0925,1.329,1.1253;.2296,3.5059,3.9821;1.3028,1.1295,3.0768;-1.1193,.9493,-2.9674;-1.1705,-1.243,2.7489;-1.3129,2.8507,-1.1338;-.2894,3.5398,-3.7359;1.0793,3.0792,1.2757;.8996,-3.5681,-1.2156;3.4086,-1.4881,1.3718;3.8891,-.0435,-3.5733;3.5738,1.7436,-1.4146;-3.3851,1.5901,1.328;1.8047,-1.387,3.6112;1.5121,1.4116,-3.3674;-1.5074,1.3593,3.3896;.0733,-.0545,.0234;-3.7362,-.2374,3.4722;-1.4151,3.5911,1.772;1.0278,-3.2956,1.5097;1.3805,3.4439,-1.5037;-.0391,-3.4534,4.089;-1.6922,1.0642,-3.7543;-3.7843,-1.7634,1.0861;1.3861,-4.3789,-1.4947;/R:/0/N:5,28,2,14,15,30,41,9,23,26,8,21,17,37,19,18,39,29,16,34,25,31,38,24,32,33,40,27,35,20,22,13,36,12,1,7,3,6,4,10,11/E:(4,5)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,14.1,15.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">40</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">40</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15415753</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03715803</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00651475</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03715803</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00651475</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.19886545</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04461437</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.375595"
                                 y3="-2.258277"
                                 z3="2.972764"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.180177"
                                 y3="-3.530945"
                                 z3="-0.209518"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.012821"
                                 y3="2.438256"
                                 z3="-2.485261"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.021379"
                                 y3="2.336582"
                                 z3="2.730535"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.850853"
                                 y3="-2.451386"
                                 z3="-0.105404"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.366264"
                                 y3="2.72467"
                                 z3="-0.009868"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.378212"
                                 y3="2.90635"
                                 z3="0.418665"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.506666"
                                 y3="3.988875"
                                 z3="0.239687"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.55823"
                                 y3="4.09942"
                                 z3="0.06549"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.539637"
                                 y3="0.070355"
                                 z3="2.252984"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.83252"
                                 y3="-0.090048"
                                 z3="2.354624"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.740932"
                                 y3="0.458201"
                                 z3="-2.376493"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.167855"
                                 y3="-0.731711"
                                 z3="1.164771"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.204219"
                                 y3="-1.409134"
                                 z3="-0.726905"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.998289"
                                 y3="1.064731"
                                 z3="-0.859189"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.904319"
                                 y3="0.926797"
                                 z3="0.929891"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.024677"
                                 y3="-1.059671"
                                 z3="0.802283"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.430676"
                                 y3="-1.161965"
                                 z3="-1.452185"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.125679"
                                 y3="0.189777"
                                 z3="3.480236"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.107934"
                                 y3="1.346027"
                                 z3="1.126713"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.209684"
                                 y3="3.482053"
                                 z3="3.989633"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.323208"
                                 y3="1.142315"
                                 z3="3.074085"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.056544"
                                 y3="0.91025"
                                 z3="-2.895538"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.185735"
                                 y3="-1.282502"
                                 z3="2.757223"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.337023"
                                 y3="2.853636"
                                 z3="-1.131114"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.357943"
                                 y3="3.542542"
                                 z3="-3.737129"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.090668"
                                 y3="3.097528"
                                 z3="1.287728"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.84081"
                                 y3="-3.601572"
                                 z3="-1.254497"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.396536"
                                 y3="-1.489987"
                                 z3="1.363743"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.86222"
                                 y3="-0.029345"
                                 z3="-3.585776"/>
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                                 id="a31"
                                 x3="3.575911"
                                 y3="1.742173"
                                 z3="-1.411423"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.384811"
                                 y3="1.59594"
                                 z3="1.307191"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.824024"
                                 y3="-1.368616"
                                 z3="3.635105"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.520654"
                                 y3="1.452395"
                                 z3="-3.374202"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.512876"
                                 y3="1.340568"
                                 z3="3.369422"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.123017"
                                 y3="-0.053117"
                                 z3="0.043545"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.755007"
                                 y3="-0.282748"
                                 z3="3.406478"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.409318"
                                 y3="3.580187"
                                 z3="1.775689"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.927239"
                                 y3="-3.262048"
                                 z3="1.523164"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.368297"
                                 y3="3.449177"
                                 z3="-1.503907"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.000945"
                                 y3="-3.436835"
                                 z3="4.16872"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.619214"
                                 y3="0.961147"
                                 z3="-3.695489"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.707376"
                                 y3="-1.748308"
                                 z3="0.942696"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.330548"
                                 y3="-4.43304"
                                 z3="-1.443567"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)17-34(6)20-37(9,10)21-36(8)23-39(12)28-38(11,22-34,27-37)30-41(15,16,31-39)26-35(7,18-1)24-40(13,14,25-36,29-39)19-33(4,5)32(1)41/h2,9,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3O1O1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3756,-2.2583,2.9728;3.1802,-3.5309,-.2095;.0128,2.4383,-2.4853;-.0214,2.3366,2.7305;1.8509,-2.4514,-.1054;2.3663,2.7247,-.0099;-2.3782,2.9064,.4187;3.5067,3.9889,.2397;-3.5582,4.0994,.0655;-2.5396,.0704,2.253;2.8325,-.09,2.3546;2.7409,.4582,-2.3765;1.1679,-.7317,1.1648;-.2042,-1.4091,-.7269;.9983,1.0647,-.8592;-.9043,.9268,.9299;-3.0247,-1.0597,.8023;2.4307,-1.162,-1.4522;4.1257,.1898,3.4802;3.1079,1.346,1.1267;.2097,3.4821,3.9896;1.3232,1.1423,3.0741;-1.0565,.9103,-2.8955;-1.1857,-1.2825,2.7572;-1.337,2.8536,-1.1311;-.3579,3.5425,-3.7371;1.0907,3.0975,1.2877;.8408,-3.6016,-1.2545;3.3965,-1.49,1.3637;3.8622,-.0293,-3.5858;3.5759,1.7422,-1.4114;-3.3848,1.5959,1.3072;1.824,-1.3686,3.6351;1.5207,1.4524,-3.3742;-1.5129,1.3406,3.3694;.123,-.0531,.0435;-3.755,-.2827,3.4065;-1.4093,3.5802,1.7757;.9272,-3.262,1.5232;1.3683,3.4492,-1.5039;.0009,-3.4368,4.1687;-1.6192,.9611,-3.6955;-3.7074,-1.7483,.9427;1.3305,-4.433,-1.4436;/R:/0/N:5,28,2,14,15,30,41,9,23,26,8,21,17,37,19,29,18,39,16,34,25,31,38,24,32,33,40,27,35,20,22,13,36,12,1,7,3,6,4,10,11/E:(4,5)(15,16)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,14.1,15.1,16.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">41</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">41</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.15904193</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03168820</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00700478</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03168820</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00700478</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06055641</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02012462</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.383111"
                                 y3="-2.250983"
                                 z3="2.988414"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.11962"
                                 y3="-3.535419"
                                 z3="-0.216338"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.007424"
                                 y3="2.429688"
                                 z3="-2.471379"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.016621"
                                 y3="2.341042"
                                 z3="2.740035"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.802081"
                                 y3="-2.433122"
                                 z3="-0.110175"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.374144"
                                 y3="2.723277"
                                 z3="-0.000411"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.391455"
                                 y3="2.918726"
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                           <bond atomRefs2="a5 a14" order="S"/>
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                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
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                           <bond atomRefs2="a11 a19" order="S"/>
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                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)24-35(6,18-1)26-41(14,15,32(1)33)30-38(10)22-34(5,17-1)20-37(8,9,27-38)21-36(7,25-40)23-39(11,28-38,29-40)31-41/h2,8,12H">
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                     </molecule>
                  </module>
               </module>
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">42</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.16070060</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02285941</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00623232</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02285941</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00623232</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.11819769</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)17-34(6)20-37(9,10)21-36(8)23-39(12)28-38(11,22-34,27-37)30-41(15,16,31-39)26-35(7,18-1)24-40(13,14,25-36,29-39)19-33(4,5)32(1)41/h2,9,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3O1O1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3758,-2.2671,2.9474;3.2188,-3.5481,-.2148;.0095,2.4089,-2.4892;-.0228,2.3405,2.7485;1.8946,-2.4618,-.0984;2.3699,2.7368,-.0171;-2.3704,2.8961,.4176;3.5015,4.0099,.2338;-3.5424,4.1015,.0648;-2.5511,.0675,2.2656;2.8357,-.0901,2.3604;2.7492,.4484,-2.3729;1.1411,-.7403,1.1572;-.3049,-1.3685,-.7473;1.0087,1.0494,-.8623;-.9104,.9405,.9293;-3.0446,-1.0571,.8173;2.4863,-1.1522,-1.4253;4.1212,.1919,3.4901;3.1053,1.3406,1.1267;.2214,3.485,4.009;1.3135,1.1338,3.0801;-1.0665,.8902,-2.9062;-1.182,-1.2668,2.7605;-1.3207,2.8424,-1.1251;-.365,3.512,-3.7434;1.0891,3.0848,1.2827;.8384,-3.5856,-1.2402;3.4162,-1.4877,1.3663;3.8911,-.0199,-3.575;3.5766,1.7506,-1.419;-3.3823,1.5962,1.3208;1.8198,-1.3849,3.6326;1.5157,1.4285,-3.3761;-1.524,1.3621,3.3761;.1057,-.042,.037;-3.764,-.2847,3.4249;-1.4081,3.5877,1.7727;.9862,-3.2789,1.5218;1.3695,3.4407,-1.514;-.0121,-3.4464,4.1414;-1.6316,.9578,-3.7047;-3.7642,-1.7082,.9563;1.3399,-4.3952,-1.4846;/R:/0/N:5,28,2,14,15,30,41,9,23,26,8,21,17,37,19,29,18,39,16,34,25,31,38,24,32,33,40,27,35,20,22,13,36,12,1,7,3,6,4,10,11/E:(4,5)(15,16)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,14.1,15.1,16.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">43</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">43</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.16009764</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03153927</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00507879</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03153927</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00507879</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07338871</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01268022</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.37334"
                                 y3="-2.260559"
                                 z3="2.961634"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.167389"
                                 y3="-3.549338"
                                 z3="-0.214827"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.00991"
                                 y3="2.416862"
                                 z3="-2.485323"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.020259"
                                 y3="2.338165"
                                 z3="2.746475"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.855822"
                                 y3="-2.449166"
                                 z3="-0.102553"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.370862"
                                 y3="2.729095"
                                 z3="-0.012224"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.381144"
                                 y3="2.901829"
                                 z3="0.417102"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.501861"
                                 y3="4.00333"
                                 z3="0.235348"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.550984"
                                 y3="4.113698"
                                 z3="0.079308"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.550225"
                                 y3="0.067355"
                                 z3="2.26134"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.843475"
                                 y3="-0.091921"
                                 z3="2.35952"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.743158"
                                 y3="0.446918"
                                 z3="-2.380407"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.147079"
                                 y3="-0.732739"
                                 z3="1.163067"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.23152"
                                 y3="-1.400283"
                                 z3="-0.728557"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.006055"
                                 y3="1.049384"
                                 z3="-0.861281"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.91396"
                                 y3="0.932451"
                                 z3="0.920014"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.030223"
                                 y3="-1.044474"
                                 z3="0.799036"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.471506"
                                 y3="-1.16538"
                                 z3="-1.447465"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.131652"
                                 y3="0.193032"
                                 z3="3.489647"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.107099"
                                 y3="1.34177"
                                 z3="1.128516"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.222761"
                                 y3="3.479078"
                                 z3="4.009328"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.315886"
                                 y3="1.137242"
                                 z3="3.075319"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.055904"
                                 y3="0.885014"
                                 z3="-2.886982"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.176874"
                                 y3="-1.262316"
                                 z3="2.757469"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.337139"
                                 y3="2.865869"
                                 z3="-1.134606"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.374502"
                                 y3="3.515008"
                                 z3="-3.741321"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.089416"
                                 y3="3.083636"
                                 z3="1.285208"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.842498"
                                 y3="-3.600254"
                                 z3="-1.254818"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.419629"
                                 y3="-1.486471"
                                 z3="1.365989"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.889445"
                                 y3="-0.01429"
                                 z3="-3.580205"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.568459"
                                 y3="1.745449"
                                 z3="-1.419257"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.38587"
                                 y3="1.596149"
                                 z3="1.321183"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.823316"
                                 y3="-1.379361"
                                 z3="3.635735"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.516122"
                                 y3="1.435942"
                                 z3="-3.375888"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.523928"
                                 y3="1.356287"
                                 z3="3.369384"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.110009"
                                 y3="-0.045946"
                                 z3="0.037708"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.765031"
                                 y3="-0.296226"
                                 z3="3.413686"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.412549"
                                 y3="3.581786"
                                 z3="1.775661"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.960405"
                                 y3="-3.268834"
                                 z3="1.528308"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.367167"
                                 y3="3.437453"
                                 z3="-1.510976"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.006653"
                                 y3="-3.432776"
                                 z3="4.163709"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.623592"
                                 y3="0.946912"
                                 z3="-3.683879"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.748055"
                                 y3="-1.699532"
                                 z3="0.928594"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.36759"
                                 y3="-4.401149"
                                 z3="-1.482119"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)17-34(6)20-37(9,10)21-36(8)23-39(12)28-38(11,22-34,27-37)30-41(15,16,31-39)26-35(7,18-1)24-40(13,14,25-36,29-39)19-33(4,5)32(1)41/h2,9,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3O1O1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3733,-2.2606,2.9616;3.1674,-3.5493,-.2148;.0099,2.4169,-2.4853;-.0203,2.3382,2.7465;1.8558,-2.4492,-.1026;2.3709,2.7291,-.0122;-2.3811,2.9018,.4171;3.5019,4.0033,.2353;-3.551,4.1137,.0793;-2.5502,.0674,2.2613;2.8435,-.0919,2.3595;2.7432,.4469,-2.3804;1.1471,-.7327,1.1631;-.2315,-1.4003,-.7286;1.0061,1.0494,-.8613;-.914,.9325,.92;-3.0302,-1.0445,.799;2.4715,-1.1654,-1.4475;4.1317,.193,3.4896;3.1071,1.3418,1.1285;.2228,3.4791,4.0093;1.3159,1.1372,3.0753;-1.0559,.885,-2.887;-1.1769,-1.2623,2.7575;-1.3371,2.8659,-1.1346;-.3745,3.515,-3.7413;1.0894,3.0836,1.2852;.8425,-3.6003,-1.2548;3.4196,-1.4865,1.366;3.8894,-.0143,-3.5802;3.5685,1.7454,-1.4193;-3.3859,1.5961,1.3212;1.8233,-1.3794,3.6357;1.5161,1.4359,-3.3759;-1.5239,1.3563,3.3694;.11,-.0459,.0377;-3.765,-.2962,3.4137;-1.4125,3.5818,1.7757;.9604,-3.2688,1.5283;1.3672,3.4375,-1.511;-.0067,-3.4328,4.1637;-1.6236,.9469,-3.6839;-3.7481,-1.6995,.9286;1.3676,-4.4011,-1.4821;/R:/0/N:5,28,2,14,15,30,41,9,23,26,8,21,17,37,19,29,18,39,16,34,25,31,38,24,32,33,40,27,35,20,22,13,36,12,1,7,3,6,4,10,11/E:(4,5)(15,16)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,14.1,15.1,16.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">44</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">44</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.16226378</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03365734</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00490868</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03365734</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00490868</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10584152</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02414150</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.366305"
                                 y3="-2.250734"
                                 z3="2.989375"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.077478"
                                 y3="-3.534136"
                                 z3="-0.219904"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.011423"
                                 y3="2.416857"
                                 z3="-2.475825"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.014096"
                                 y3="2.337005"
                                 z3="2.74469"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.769994"
                                 y3="-2.420172"
                                 z3="-0.11348"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.375843"
                                 y3="2.724041"
                                 z3="-0.00402"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.38746"
                                 y3="2.920765"
                                 z3="0.414953"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.498376"
                                 y3="4.005473"
                                 z3="0.237401"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.549956"
                                 y3="4.143084"
                                 z3="0.097269"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.551888"
                                 y3="0.075369"
                                 z3="2.244221"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.859504"
                                 y3="-0.097563"
                                 z3="2.356781"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.745219"
                                 y3="0.449971"
                                 z3="-2.38629"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.161316"
                                 y3="-0.715995"
                                 z3="1.175908"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.125679"
                                 y3="-1.44967"
                                 z3="-0.693897"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.001017"
                                 y3="1.053085"
                                 z3="-0.85638"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.916934"
                                 y3="0.914762"
                                 z3="0.906571"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.988765"
                                 y3="-1.030471"
                                 z3="0.76183"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.429839"
                                 y3="-1.168125"
                                 z3="-1.482033"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.154693"
                                 y3="0.187785"
                                 z3="3.480051"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.113006"
                                 y3="1.351194"
                                 z3="1.1327"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.217706"
                                 y3="3.47399"
                                 z3="4.01131"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.322993"
                                 y3="1.143916"
                                 z3="3.077245"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.031505"
                                 y3="0.853341"
                                 z3="-2.827404"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.190242"
                                 y3="-1.273899"
                                 z3="2.763166"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.349415"
                                 y3="2.876149"
                                 z3="-1.13492"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.398215"
                                 y3="3.493285"
                                 z3="-3.742374"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.088898"
                                 y3="3.085595"
                                 z3="1.286619"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.830508"
                                 y3="-3.604727"
                                 z3="-1.299991"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.425879"
                                 y3="-1.476969"
                                 z3="1.348676"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.897264"
                                 y3="-0.003231"
                                 z3="-3.583105"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.564328"
                                 y3="1.744394"
                                 z3="-1.412181"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.388382"
                                 y3="1.60402"
                                 z3="1.308344"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.835402"
                                 y3="-1.371787"
                                 z3="3.638013"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.517571"
                                 y3="1.439488"
                                 z3="-3.37776"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.52553"
                                 y3="1.348956"
                                 z3="3.356095"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.12484"
                                 y3="-0.048044"
                                 z3="0.046216"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.7780"
                                 y3="-0.308543"
                                 z3="3.37787"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.409794"
                                 y3="3.577468"
                                 z3="1.775922"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.896955"
                                 y3="-3.248392"
                                 z3="1.530302"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.360202"
                                 y3="3.434678"
                                 z3="-1.508187"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.000388"
                                 y3="-3.421248"
                                 z3="4.196923"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.617393"
                                 y3="0.895519"
                                 z3="-3.612449"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.68027"
                                 y3="-1.715129"
                                 z3="0.881562"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.39085"
                                 y3="-4.392656"
                                 z3="-1.484208"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)24-35(6,18-1)26-41(14,15,32(1)33)30-38(10)22-34(5,17-1)20-37(8,9,27-38)21-36(7,25-40)23-39(11,28-38,29-40)31-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3OO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3663,-2.2507,2.9894;3.0775,-3.5341,-.2199;.0114,2.4169,-2.4758;-.0141,2.337,2.7447;1.77,-2.4202,-.1135;2.3758,2.724,-.004;-2.3875,2.9208,.415;3.4984,4.0055,.2374;-3.55,4.1431,.0973;-2.5519,.0754,2.2442;2.8595,-.0976,2.3568;2.7452,.45,-2.3863;1.1613,-.716,1.1759;-.1257,-1.4497,-.6939;1.001,1.0531,-.8564;-.9169,.9148,.9066;-2.9888,-1.0305,.7618;2.4298,-1.1681,-1.482;4.1547,.1878,3.4801;3.113,1.3512,1.1327;.2177,3.474,4.0113;1.323,1.1439,3.0772;-1.0315,.8533,-2.8274;-1.1902,-1.2739,2.7632;-1.3494,2.8761,-1.1349;-.3982,3.4933,-3.7424;1.0889,3.0856,1.2866;.8305,-3.6047,-1.3;3.4259,-1.477,1.3487;3.8973,-.0032,-3.5831;3.5643,1.7444,-1.4122;-3.3884,1.604,1.3083;1.8354,-1.3718,3.638;1.5176,1.4395,-3.3778;-1.5255,1.349,3.3561;.1248,-.048,.0462;-3.778,-.3085,3.3779;-1.4098,3.5775,1.7759;.897,-3.2484,1.5303;1.3602,3.4347,-1.5082;-.0004,-3.4212,4.1969;-1.6174,.8955,-3.6124;-3.6803,-1.7151,.8816;1.3908,-4.3927,-1.4842;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,34,25,31,38,24,32,33,40,27,35,20,22,13,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">45</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">45</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.16300468</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02018120</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00548241</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02018120</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00548241</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01766618</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00592967</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.371228"
                                 y3="-2.246122"
                                 z3="2.98846"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.072173"
                                 y3="-3.537719"
                                 z3="-0.210126"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.011416"
                                 y3="2.408791"
                                 z3="-2.472367"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.010594"
                                 y3="2.338422"
                                 z3="2.749644"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.765876"
                                 y3="-2.420334"
                                 z3="-0.113024"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.379177"
                                 y3="2.725301"
                                 z3="0.000165"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.389439"
                                 y3="2.921694"
                                 z3="0.417693"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.494472"
                                 y3="4.012722"
                                 z3="0.240981"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.545935"
                                 y3="4.152429"
                                 z3="0.110563"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.551281"
                                 y3="0.073887"
                                 z3="2.241944"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.866002"
                                 y3="-0.094384"
                                 z3="2.356315"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.747016"
                                 y3="0.448238"
                                 z3="-2.385637"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.154716"
                                 y3="-0.720202"
                                 z3="1.169894"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.143345"
                                 y3="-1.449163"
                                 z3="-0.706732"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.994112"
                                 y3="1.049093"
                                 z3="-0.859732"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.924823"
                                 y3="0.908652"
                                 z3="0.903352"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.995179"
                                 y3="-1.019624"
                                 z3="0.753658"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.431613"
                                 y3="-1.177368"
                                 z3="-1.493337"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.161911"
                                 y3="0.193745"
                                 z3="3.477671"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.111541"
                                 y3="1.351929"
                                 z3="1.133475"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.221943"
                                 y3="3.468718"
                                 z3="4.021696"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.324472"
                                 y3="1.143231"
                                 z3="3.074965"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.026283"
                                 y3="0.843426"
                                 z3="-2.829119"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.189603"
                                 y3="-1.277038"
                                 z3="2.757745"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.361914"
                                 y3="2.879551"
                                 z3="-1.142695"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.39818"
                                 y3="3.485319"
                                 z3="-3.739271"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.088993"
                                 y3="3.08298"
                                 z3="1.289238"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.832037"
                                 y3="-3.60696"
                                 z3="-1.301486"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.432097"
                                 y3="-1.46977"
                                 z3="1.344198"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.910155"
                                 y3="0.007945"
                                 z3="-3.576128"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.558974"
                                 y3="1.744016"
                                 z3="-1.406194"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.390989"
                                 y3="1.607358"
                                 z3="1.313932"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.839206"
                                 y3="-1.366599"
                                 z3="3.636157"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.5220"
                                 y3="1.437433"
                                 z3="-3.377052"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.523977"
                                 y3="1.348976"
                                 z3="3.354336"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.11496"
                                 y3="-0.051503"
                                 z3="0.039783"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.775534"
                                 y3="-0.311709"
                                 z3="3.376947"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.40646"
                                 y3="3.574449"
                                 z3="1.777911"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.906149"
                                 y3="-3.251103"
                                 z3="1.536285"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.359093"
                                 y3="3.429866"
                                 z3="-1.503883"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.009373"
                                 y3="-3.413672"
                                 z3="4.200014"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.611658"
                                 y3="0.887779"
                                 z3="-3.614506"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.693804"
                                 y3="-1.697769"
                                 z3="0.8702"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.391796"
                                 y3="-4.39621"
                                 z3="-1.480332"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)24-35(6,18-1)26-41(14,15,32(1)33)30-38(10)22-34(5,17-1)20-37(8,9,27-38)21-36(7,25-40)23-39(11,28-38,29-40)31-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3OO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3712,-2.2461,2.9885;3.0722,-3.5377,-.2101;.0114,2.4088,-2.4724;-.0106,2.3384,2.7496;1.7659,-2.4203,-.113;2.3792,2.7253,.0002;-2.3894,2.9217,.4177;3.4945,4.0127,.241;-3.5459,4.1524,.1106;-2.5513,.0739,2.2419;2.866,-.0944,2.3563;2.747,.4482,-2.3856;1.1547,-.7202,1.1699;-.1433,-1.4492,-.7067;.9941,1.0491,-.8597;-.9248,.9087,.9034;-2.9952,-1.0196,.7537;2.4316,-1.1774,-1.4933;4.1619,.1937,3.4777;3.1115,1.3519,1.1335;.2219,3.4687,4.0217;1.3245,1.1432,3.075;-1.0263,.8434,-2.8291;-1.1896,-1.277,2.7577;-1.3619,2.8796,-1.1427;-.3982,3.4853,-3.7393;1.089,3.083,1.2892;.832,-3.607,-1.3015;3.4321,-1.4698,1.3442;3.9102,.0079,-3.5761;3.559,1.744,-1.4062;-3.391,1.6074,1.3139;1.8392,-1.3666,3.6362;1.522,1.4374,-3.3771;-1.524,1.349,3.3543;.115,-.0515,.0398;-3.7755,-.3117,3.3769;-1.4065,3.5744,1.7779;.9061,-3.2511,1.5363;1.3591,3.4299,-1.5039;.0094,-3.4137,4.2;-1.6117,.8878,-3.6145;-3.6938,-1.6978,.8702;1.3918,-4.3962,-1.4803;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,34,25,31,38,24,32,33,40,27,35,20,22,13,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">46</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">46</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.16382640</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01838788</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00500583</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01838788</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00500583</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05976473</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01190803</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.36807"
                                 y3="-2.247484"
                                 z3="2.971923"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.084504"
                                 y3="-3.54854"
                                 z3="-0.199491"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.015025"
                                 y3="2.391445"
                                 z3="-2.474811"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.008264"
                                 y3="2.339733"
                                 z3="2.75886"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.781353"
                                 y3="-2.427007"
                                 z3="-0.113464"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.383199"
                                 y3="2.733714"
                                 z3="-0.003002"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.383208"
                                 y3="2.916586"
                                 z3="0.412548"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.489689"
                                 y3="4.029017"
                                 z3="0.237544"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.536144"
                                 y3="4.152798"
                                 z3="0.1071"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.558227"
                                 y3="0.072638"
                                 z3="2.241168"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.869369"
                                 y3="-0.095491"
                                 z3="2.35889"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.754275"
                                 y3="0.440094"
                                 z3="-2.386164"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.142602"
                                 y3="-0.723496"
                                 z3="1.166295"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.181555"
                                 y3="-1.421393"
                                 z3="-0.732406"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.002657"
                                 y3="1.044373"
                                 z3="-0.863659"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.92848"
                                 y3="0.917483"
                                 z3="0.897285"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.995152"
                                 y3="-1.030254"
                                 z3="0.759511"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.491378"
                                 y3="-1.173775"
                                 z3="-1.469744"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.157728"
                                 y3="0.194132"
                                 z3="3.485653"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.109465"
                                 y3="1.3516"
                                 z3="1.135065"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.225289"
                                 y3="3.467627"
                                 z3="4.034108"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.321663"
                                 y3="1.139342"
                                 z3="3.078606"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.046341"
                                 y3="0.839106"
                                 z3="-2.810998"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.188199"
                                 y3="-1.263381"
                                 z3="2.766766"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.342047"
                                 y3="2.892919"
                                 z3="-1.138325"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.39754"
                                 y3="3.463144"
                                 z3="-3.745934"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.087611"
                                 y3="3.078555"
                                 z3="1.286676"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.821254"
                                 y3="-3.59878"
                                 z3="-1.298764"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.441189"
                                 y3="-1.468695"
                                 z3="1.350384"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.926373"
                                 y3="0.017425"
                                 z3="-3.575238"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.556399"
                                 y3="1.750167"
                                 z3="-1.412526"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.390182"
                                 y3="1.603874"
                                 z3="1.310464"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.835569"
                                 y3="-1.376271"
                                 z3="3.630667"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.516215"
                                 y3="1.416237"
                                 z3="-3.381689"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.530283"
                                 y3="1.359578"
                                 z3="3.348964"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.109421"
                                 y3="-0.042273"
                                 z3="0.031828"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.782086"
                                 y3="-0.31188"
                                 z3="3.377847"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.40774"
                                 y3="3.575401"
                                 z3="1.775002"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.925629"
                                 y3="-3.25944"
                                 z3="1.529592"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.362487"
                                 y3="3.424445"
                                 z3="-1.509892"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.001555"
                                 y3="-3.4158"
                                 z3="4.180938"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.653085"
                                 y3="0.89592"
                                 z3="-3.579657"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.698762"
                                 y3="-1.702649"
                                 z3="0.881604"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.383935"
                                 y3="-4.382046"
                                 z3="-1.493921"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)24-35(6,18-1)26-41(14,15,32(1)33)30-38(10)22-34(5,17-1)20-37(8,9,27-38)21-36(7,25-40)23-39(11,28-38,29-40)31-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3OO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3681,-2.2475,2.9719;3.0845,-3.5485,-.1995;.015,2.3914,-2.4748;-.0083,2.3397,2.7589;1.7814,-2.427,-.1135;2.3832,2.7337,-.003;-2.3832,2.9166,.4125;3.4897,4.029,.2375;-3.5361,4.1528,.1071;-2.5582,.0726,2.2412;2.8694,-.0955,2.3589;2.7543,.4401,-2.3862;1.1426,-.7235,1.1663;-.1816,-1.4214,-.7324;1.0027,1.0444,-.8637;-.9285,.9175,.8973;-2.9952,-1.0303,.7595;2.4914,-1.1738,-1.4697;4.1577,.1941,3.4857;3.1095,1.3516,1.1351;.2253,3.4676,4.0341;1.3217,1.1393,3.0786;-1.0463,.8391,-2.811;-1.1882,-1.2634,2.7668;-1.342,2.8929,-1.1383;-.3975,3.4631,-3.7459;1.0876,3.0786,1.2867;.8213,-3.5988,-1.2988;3.4412,-1.4687,1.3504;3.9264,.0174,-3.5752;3.5564,1.7502,-1.4125;-3.3902,1.6039,1.3105;1.8356,-1.3763,3.6307;1.5162,1.4162,-3.3817;-1.5303,1.3596,3.349;.1094,-.0423,.0318;-3.7821,-.3119,3.3778;-1.4077,3.5754,1.775;.9256,-3.2594,1.5296;1.3625,3.4244,-1.5099;-.0016,-3.4158,4.1809;-1.6531,.8959,-3.5797;-3.6988,-1.7026,.8816;1.3839,-4.382,-1.4939;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,34,25,31,38,24,32,33,40,27,35,20,22,13,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">47</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">47</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.16587976</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02126478</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00362229</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02126478</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00362229</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09615276</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01804920</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.36579"
                                 y3="-2.236739"
                                 z3="2.967897"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="3.033199"
                                 y3="-3.560188"
                                 z3="-0.183095"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.023607"
                                 y3="2.36649"
                                 z3="-2.468147"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.000799"
                                 y3="2.34149"
                                 z3="2.77018"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.741387"
                                 y3="-2.419521"
                                 z3="-0.1222"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.396384"
                                 y3="2.744032"
                                 z3="0.00133"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.384984"
                                 y3="2.918098"
                                 z3="0.403049"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.484554"
                                 y3="4.054612"
                                 z3="0.238725"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.52831"
                                 y3="4.169058"
                                 z3="0.116266"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.565403"
                                 y3="0.071706"
                                 z3="2.226472"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.890859"
                                 y3="-0.098679"
                                 z3="2.357527"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.766157"
                                 y3="0.42996"
                                 z3="-2.385289"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.134427"
                                 y3="-0.721893"
                                 z3="1.16621"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.172729"
                                 y3="-1.417373"
                                 z3="-0.751858"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.007344"
                                 y3="1.041012"
                                 z3="-0.866508"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.941105"
                                 y3="0.911561"
                                 z3="0.876607"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.972921"
                                 y3="-1.036567"
                                 z3="0.741868"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.534135"
                                 y3="-1.164415"
                                 z3="-1.451044"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.17372"
                                 y3="0.196785"
                                 z3="3.4872"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.112119"
                                 y3="1.358594"
                                 z3="1.140913"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.226215"
                                 y3="3.461588"
                                 z3="4.053481"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.324271"
                                 y3="1.138764"
                                 z3="3.079505"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.053898"
                                 y3="0.813983"
                                 z3="-2.747505"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.184337"
                                 y3="-1.247894"
                                 z3="2.769735"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.332135"
                                 y3="2.925875"
                                 z3="-1.14038"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.404808"
                                 y3="3.416341"
                                 z3="-3.75419"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.085036"
                                 y3="3.076411"
                                 z3="1.284363"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.796692"
                                 y3="-3.587507"
                                 z3="-1.330361"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.466285"
                                 y3="-1.458806"
                                 z3="1.340963"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.957367"
                                 y3="0.036028"
                                 z3="-3.565751"/>
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                                 id="a31"
                                 x3="3.549591"
                                 y3="1.755414"
                                 z3="-1.410033"/>
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                                 id="a32"
                                 x3="-3.394196"
                                 y3="1.599204"
                                 z3="1.299188"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.844049"
                                 y3="-1.378588"
                                 z3="3.622522"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.513135"
                                 y3="1.387511"
                                 z3="-3.385799"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.536678"
                                 y3="1.365173"
                                 z3="3.331306"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.107447"
                                 y3="-0.034442"
                                 z3="0.024635"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.792964"
                                 y3="-0.32474"
                                 z3="3.355841"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.410417"
                                 y3="3.568598"
                                 z3="1.770069"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.907193"
                                 y3="-3.256705"
                                 z3="1.52583"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.366908"
                                 y3="3.41607"
                                 z3="-1.513227"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="-0.004782"
                                 y3="-3.401799"
                                 z3="4.179812"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.700088"
                                 y3="0.876602"
                                 z3="-3.483504"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.670492"
                                 y3="-1.715613"
                                 z3="0.865875"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.376674"
                                 y3="-4.36079"
                                 z3="-1.512876"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-33-18-39(9,10)22-34(4,16-1)20-37(7,28-39)27-38(8)21-36(6,24-39)25-40(11,12,19-33,29-38)23-35(5,17-1)26-41(13,14,30-37,31-38)32(1)33/h2,9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2-1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3OOOOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;s5;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3658,-2.2367,2.9679;3.0332,-3.5602,-.1831;.0236,2.3665,-2.4681;-.0008,2.3415,2.7702;1.7414,-2.4195,-.1222;2.3964,2.744,.0013;-2.385,2.9181,.403;3.4846,4.0546,.2387;-3.5283,4.1691,.1163;-2.5654,.0717,2.2265;2.8909,-.0987,2.3575;2.7662,.43,-2.3853;1.1344,-.7219,1.1662;-.1727,-1.4174,-.7519;1.0073,1.041,-.8665;-.9411,.9116,.8766;-2.9729,-1.0366,.7419;2.5341,-1.1644,-1.451;4.1737,.1968,3.4872;3.1121,1.3586,1.1409;.2262,3.4616,4.0535;1.3243,1.1388,3.0795;-1.0539,.814,-2.7475;-1.1843,-1.2479,2.7697;-1.3321,2.9259,-1.1404;-.4048,3.4163,-3.7542;1.085,3.0764,1.2844;.7967,-3.5875,-1.3304;3.4663,-1.4588,1.341;3.9574,.036,-3.5658;3.5496,1.7554,-1.41;-3.3942,1.5992,1.2992;1.844,-1.3786,3.6225;1.5131,1.3875,-3.3858;-1.5367,1.3652,3.3313;.1074,-.0344,.0246;-3.793,-.3247,3.3558;-1.4104,3.5686,1.7701;.9072,-3.2567,1.5258;1.3669,3.4161,-1.5132;-.0048,-3.4018,4.1798;-1.7001,.8766,-3.4835;-3.6705,-1.7156,.8659;1.3767,-4.3608,-1.5129;/R:/0/N:5,28,2,30,41,9,8,21,23,26,17,37,19,29,14,18,39,15,16,31,38,34,24,25,32,33,27,40,35,20,22,13,36,12,1,7,6,4,3,10,11/E:(13,14)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">48</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">48</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.16734840</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01741285</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00356971</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01741285</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00356971</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09547424</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01786825</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.362558"
                                 y3="-2.234859"
                                 z3="2.96877"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.976436"
                                 y3="-3.559643"
                                 z3="-0.180063"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.032976"
                                 y3="2.349308"
                                 z3="-2.462566"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.004281"
                                 y3="2.344974"
                                 z3="2.776839"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.688302"
                                 y3="-2.409843"
                                 z3="-0.137583"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.403775"
                                 y3="2.754845"
                                 z3="0.007217"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.383926"
                                 y3="2.921216"
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                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-33-18-39(9,10)22-34(4,16-1)20-37(7,28-39)27-38(8)21-36(6,24-39)25-40(11,12,19-33,29-38)23-35(5,17-1)26-41(13,14,30-37,31-38)32(1)33/h2,9,11H">
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                  </module>
               </module>
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">49</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.16783225</scalar>
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                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01540080</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
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                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00379277</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
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                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-33-18-39(9,10)22-34(4,16-1)20-37(7,28-39)27-38(8)21-36(6,24-39)25-40(11,12,19-33,29-38)23-35(5,17-1)26-41(13,14,30-37,31-38)32(1)33/h2,9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2-1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3OOOOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;s5;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3686,-2.2375,2.9646;2.9885,-3.5637,-.1835;.0339,2.357,-2.4643;.0026,2.3466,2.7755;1.6989,-2.4169,-.1422;2.4,2.7567,.0072;-2.3856,2.9139,.3924;3.4813,4.0716,.25;-3.5258,4.1672,.1008;-2.5701,.0705,2.2225;2.9055,-.1033,2.3474;2.779,.4302,-2.3784;1.1354,-.724,1.1677;-.1504,-1.4219,-.7595;1.0192,1.0434,-.8646;-.9496,.9069,.8569;-2.9623,-1.0632,.7522;2.5644,-1.1498,-1.4182;4.1782,.2028,3.4844;3.1108,1.3719,1.1471;.2227,3.4728,4.0548;1.3229,1.144,3.0827;-1.0565,.806,-2.7045;-1.1846,-1.2405,2.7884;-1.3055,2.9335,-1.1282;-.3997,3.384,-3.7677;1.0797,3.0823,1.2793;.7766,-3.5826,-1.3724;3.4918,-1.4478,1.3327;3.9782,.0397,-3.5529;3.5519,1.7638,-1.4062;-3.3982,1.5907,1.2863;1.8546,-1.3845,3.611;1.5125,1.3697,-3.3864;-1.54,1.3744,3.3188;.1162,-.0297,.0249;-3.8011,-.3215,3.3504;-1.4151,3.5674,1.756;.8782,-3.2564,1.5101;1.373,3.419,-1.5165;0,-3.4027,4.1784;-1.7356,.8685,-3.4104;-3.6698,-1.7315,.8772;1.3587,-4.3579,-1.5382;/R:/0/N:5,28,2,30,41,9,8,21,23,26,17,37,19,29,14,18,39,15,16,31,38,34,24,25,32,33,27,40,35,20,22,13,36,12,1,7,6,4,3,10,11/E:(13,14)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">50</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">50</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.16859156</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01598852</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00332242</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01598852</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00332242</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06570222</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01691085</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.391066"
                                 y3="-2.24936"
                                 z3="2.954798"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.972578"
                                 y3="-3.574387"
                                 z3="-0.192125"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.045048"
                                 y3="2.371082"
                                 z3="-2.462638"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.001398"
                                 y3="2.361707"
                                 z3="2.774393"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.68335"
                                 y3="-2.42895"
                                 z3="-0.171406"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.397209"
                                 y3="2.767038"
                                 z3="0.016157"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.395114"
                                 y3="2.894452"
                                 z3="0.38663"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.484744"
                                 y3="4.075379"
                                 z3="0.269038"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.542466"
                                 y3="4.136876"
                                 z3="0.075492"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.559201"
                                 y3="0.058983"
                                 z3="2.235197"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.910044"
                                 y3="-0.09904"
                                 z3="2.33875"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.785123"
                                 y3="0.43726"
                                 z3="-2.365689"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.141566"
                                 y3="-0.740487"
                                 z3="1.156663"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.160014"
                                 y3="-1.415061"
                                 z3="-0.776424"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.022881"
                                 y3="1.050204"
                                 z3="-0.863802"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.962768"
                                 y3="0.895314"
                                 z3="0.843479"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.985151"
                                 y3="-1.096561"
                                 z3="0.791235"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.570839"
                                 y3="-1.149374"
                                 z3="-1.392779"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.165976"
                                 y3="0.224564"
                                 z3="3.491197"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.106522"
                                 y3="1.391032"
                                 z3="1.157933"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.216676"
                                 y3="3.493482"
                                 z3="4.050465"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.315407"
                                 y3="1.157954"
                                 z3="3.082312"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.044134"
                                 y3="0.824464"
                                 z3="-2.732538"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.167908"
                                 y3="-1.246254"
                                 z3="2.797776"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.295453"
                                 y3="2.931924"
                                 z3="-1.125819"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.368927"
                                 y3="3.389043"
                                 z3="-3.779303"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.073701"
                                 y3="3.09834"
                                 z3="1.276725"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.753309"
                                 y3="-3.589436"
                                 z3="-1.389342"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.525409"
                                 y3="-1.424752"
                                 z3="1.338588"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.9878"
                                 y3="0.026932"
                                 z3="-3.529814"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.558796"
                                 y3="1.768275"
                                 z3="-1.397116"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.40281"
                                 y3="1.575643"
                                 z3="1.292725"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.866965"
                                 y3="-1.384088"
                                 z3="3.599207"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.527665"
                                 y3="1.378223"
                                 z3="-3.376989"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.529026"
                                 y3="1.378447"
                                 z3="3.316863"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.119011"
                                 y3="-0.032735"
                                 z3="0.023904"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.784905"
                                 y3="-0.307497"
                                 z3="3.376922"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.42586"
                                 y3="3.565697"
                                 z3="1.740836"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.87728"
                                 y3="-3.274157"
                                 z3="1.490073"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.38502"
                                 y3="3.430734"
                                 z3="-1.511658"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.035036"
                                 y3="-3.415602"
                                 z3="4.171628"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.725796"
                                 y3="0.884408"
                                 z3="-3.43521"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.730404"
                                 y3="-1.722221"
                                 z3="0.914298"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.293019"
                                 y3="-4.398798"
                                 z3="-1.535032"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-33-18-39(9,10)22-34(4,16-1)20-37(7,28-39)27-38(8)21-36(6,24-39)25-40(11,12,19-33,29-38)23-35(5,17-1)26-41(13,14,30-37,31-38)32(1)33/h2,9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2-1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3OOOOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;s5;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3911,-2.2494,2.9548;2.9726,-3.5744,-.1921;.045,2.3711,-2.4626;.0014,2.3617,2.7744;1.6833,-2.4289,-.1714;2.3972,2.767,.0162;-2.3951,2.8945,.3866;3.4847,4.0754,.269;-3.5425,4.1369,.0755;-2.5592,.059,2.2352;2.91,-.099,2.3388;2.7851,.4373,-2.3657;1.1416,-.7405,1.1567;-.16,-1.4151,-.7764;1.0229,1.0502,-.8638;-.9628,.8953,.8435;-2.9852,-1.0966,.7912;2.5708,-1.1494,-1.3928;4.166,.2246,3.4912;3.1065,1.391,1.1579;.2167,3.4935,4.0505;1.3154,1.158,3.0823;-1.0441,.8245,-2.7325;-1.1679,-1.2463,2.7978;-1.2955,2.9319,-1.1258;-.3689,3.389,-3.7793;1.0737,3.0983,1.2767;.7533,-3.5894,-1.3893;3.5254,-1.4248,1.3386;3.9878,.0269,-3.5298;3.5588,1.7683,-1.3971;-3.4028,1.5756,1.2927;1.867,-1.3841,3.5992;1.5277,1.3782,-3.377;-1.529,1.3784,3.3169;.119,-.0327,.0239;-3.7849,-.3075,3.3769;-1.4259,3.5657,1.7408;.8773,-3.2742,1.4901;1.385,3.4307,-1.5117;.035,-3.4156,4.1716;-1.7258,.8844,-3.4352;-3.7304,-1.7222,.9143;1.293,-4.3988,-1.535;/R:/0/N:5,28,2,30,41,9,8,21,23,26,17,37,19,29,14,18,39,15,16,31,38,34,24,25,32,33,27,40,35,20,22,13,36,12,1,7,6,4,3,10,11/E:(13,14)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">51</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">51</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.17016983</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01316611</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00324813</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01316611</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00324813</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10057252</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02281791</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.414789"
                                 y3="-2.24943"
                                 z3="2.943333"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.915737"
                                 y3="-3.58789"
                                 z3="-0.197304"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.05904"
                                 y3="2.383858"
                                 z3="-2.452615"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.00151"
                                 y3="2.383106"
                                 z3="2.773818"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.635892"
                                 y3="-2.432632"
                                 z3="-0.216991"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.398286"
                                 y3="2.777906"
                                 z3="0.025427"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.408554"
                                 y3="2.870764"
                                 z3="0.377985"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.494011"
                                 y3="4.079457"
                                 z3="0.279364"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.573843"
                                 y3="4.090184"
                                 z3="0.045365"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.540056"
                                 y3="0.041668"
                                 z3="2.237304"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.925016"
                                 y3="-0.09473"
                                 z3="2.338487"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.790981"
                                 y3="0.434037"
                                 z3="-2.349729"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.165273"
                                 y3="-0.750605"
                                 z3="1.144908"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.150027"
                                 y3="-1.401916"
                                 z3="-0.795266"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.027369"
                                 y3="1.058701"
                                 z3="-0.856316"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.98006"
                                 y3="0.874192"
                                 z3="0.820063"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.994482"
                                 y3="-1.146858"
                                 z3="0.828755"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.602255"
                                 y3="-1.161013"
                                 z3="-1.356489"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.14847"
                                 y3="0.250807"
                                 z3="3.520928"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.117603"
                                 y3="1.42342"
                                 z3="1.181278"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.204691"
                                 y3="3.516593"
                                 z3="4.050964"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.30689"
                                 y3="1.181761"
                                 z3="3.083917"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.033461"
                                 y3="0.842995"
                                 z3="-2.737803"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.126238"
                                 y3="-1.236468"
                                 z3="2.778081"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.280597"
                                 y3="2.944877"
                                 z3="-1.119104"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.336803"
                                 y3="3.382066"
                                 z3="-3.789798"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.063538"
                                 y3="3.124934"
                                 z3="1.273487"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.703876"
                                 y3="-3.578642"
                                 z3="-1.43112"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.591362"
                                 y3="-1.391367"
                                 z3="1.356969"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.989473"
                                 y3="-0.001198"
                                 z3="-3.507742"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.568123"
                                 y3="1.767241"
                                 z3="-1.39062"/>
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                                 id="a32"
                                 x3="-3.409045"
                                 y3="1.549116"
                                 z3="1.289816"/>
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                                 id="a33"
                                 x3="1.882719"
                                 y3="-1.375658"
                                 z3="3.591049"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.540952"
                                 y3="1.375566"
                                 z3="-3.358859"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.511771"
                                 y3="1.3726"
                                 z3="3.308471"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.132195"
                                 y3="-0.030849"
                                 z3="0.024553"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.762213"
                                 y3="-0.298553"
                                 z3="3.390102"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.447431"
                                 y3="3.561251"
                                 z3="1.72813"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.841169"
                                 y3="-3.285081"
                                 z3="1.458116"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.401813"
                                 y3="3.441265"
                                 z3="-1.508222"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.065577"
                                 y3="-3.418527"
                                 z3="4.158716"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.727958"
                                 y3="0.896823"
                                 z3="-3.427117"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.765019"
                                 y3="-1.740084"
                                 z3="0.95518"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.192446"
                                 y3="-4.424986"
                                 z3="-1.543871"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-33-18-39(9,10)22-34(4,16-1)20-37(7,28-39)27-38(8)21-36(6,24-39)25-40(11,12,19-33,29-38)23-35(5,17-1)26-41(13,14,30-37,31-38)32(1)33/h2,9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2-1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3OOOOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;s5;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4148,-2.2494,2.9433;2.9157,-3.5879,-.1973;.059,2.3839,-2.4526;.0015,2.3831,2.7738;1.6359,-2.4326,-.217;2.3983,2.7779,.0254;-2.4086,2.8708,.378;3.494,4.0795,.2794;-3.5738,4.0902,.0454;-2.5401,.0417,2.2373;2.925,-.0947,2.3385;2.791,.434,-2.3497;1.1653,-.7506,1.1449;-.15,-1.4019,-.7953;1.0274,1.0587,-.8563;-.9801,.8742,.8201;-2.9945,-1.1469,.8288;2.6023,-1.161,-1.3565;4.1485,.2508,3.5209;3.1176,1.4234,1.1813;.2047,3.5166,4.051;1.3069,1.1818,3.0839;-1.0335,.843,-2.7378;-1.1262,-1.2365,2.7781;-1.2806,2.9449,-1.1191;-.3368,3.3821,-3.7898;1.0635,3.1249,1.2735;.7039,-3.5786,-1.4311;3.5914,-1.3914,1.357;3.9895,-.0012,-3.5077;3.5681,1.7672,-1.3906;-3.409,1.5491,1.2898;1.8827,-1.3757,3.591;1.541,1.3756,-3.3589;-1.5118,1.3726,3.3085;.1322,-.0308,.0246;-3.7622,-.2986,3.3901;-1.4474,3.5613,1.7281;.8412,-3.2851,1.4581;1.4018,3.4413,-1.5082;.0656,-3.4185,4.1587;-1.728,.8968,-3.4271;-3.765,-1.7401,.9552;1.1924,-4.425,-1.5439;/R:/0/N:5,28,2,30,41,9,8,21,23,26,17,37,19,29,14,18,39,15,16,31,38,34,24,25,32,33,27,40,35,20,22,13,36,12,1,7,6,4,3,10,11/E:(13,14)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">52</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">52</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.17099015</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01940963</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00451176</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01940963</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00451176</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03453033</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00833630</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.417056"
                                 y3="-2.252105"
                                 z3="2.93514"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.925048"
                                 y3="-3.587663"
                                 z3="-0.195958"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.054862"
                                 y3="2.382506"
                                 z3="-2.448264"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.003344"
                                 y3="2.392015"
                                 z3="2.779495"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.636739"
                                 y3="-2.442455"
                                 z3="-0.223788"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.39567"
                                 y3="2.778953"
                                 z3="0.029394"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.40671"
                                 y3="2.868601"
                                 z3="0.382878"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.494115"
                                 y3="4.077332"
                                 z3="0.283366"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.56928"
                                 y3="4.088569"
                                 z3="0.046401"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.535662"
                                 y3="0.043491"
                                 z3="2.242105"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.928893"
                                 y3="-0.091741"
                                 z3="2.342272"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.78816"
                                 y3="0.435576"
                                 z3="-2.348816"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.168196"
                                 y3="-0.760941"
                                 z3="1.13319"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.167321"
                                 y3="-1.402618"
                                 z3="-0.800277"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.018002"
                                 y3="1.054324"
                                 z3="-0.858622"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.987957"
                                 y3="0.865072"
                                 z3="0.817625"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.012633"
                                 y3="-1.141349"
                                 z3="0.837877"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.594925"
                                 y3="-1.171074"
                                 z3="-1.366673"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.142103"
                                 y3="0.264321"
                                 z3="3.532048"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.116541"
                                 y3="1.430011"
                                 z3="1.185704"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.211304"
                                 y3="3.525598"
                                 z3="4.054971"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.3037"
                                 y3="1.18376"
                                 z3="3.086878"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.026042"
                                 y3="0.838098"
                                 z3="-2.754022"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.128306"
                                 y3="-1.244643"
                                 z3="2.774745"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.288191"
                                 y3="2.929459"
                                 z3="-1.121255"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.336718"
                                 y3="3.387604"
                                 z3="-3.78134"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.061532"
                                 y3="3.127286"
                                 z3="1.277223"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.716786"
                                 y3="-3.592787"
                                 z3="-1.440017"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.615997"
                                 y3="-1.379138"
                                 z3="1.362131"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.990718"
                                 y3="-0.001691"
                                 z3="-3.501313"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.561982"
                                 y3="1.766139"
                                 z3="-1.386483"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.409115"
                                 y3="1.554709"
                                 z3="1.297497"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.88432"
                                 y3="-1.374348"
                                 z3="3.583711"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.544111"
                                 y3="1.378465"
                                 z3="-3.357951"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.507087"
                                 y3="1.376486"
                                 z3="3.312195"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.126645"
                                 y3="-0.037816"
                                 z3="0.020956"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.756139"
                                 y3="-0.284049"
                                 z3="3.400504"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.445231"
                                 y3="3.560234"
                                 z3="1.731394"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.846469"
                                 y3="-3.285493"
                                 z3="1.456987"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.399654"
                                 y3="3.439875"
                                 z3="-1.504086"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.067645"
                                 y3="-3.420045"
                                 z3="4.151063"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.711171"
                                 y3="0.891354"
                                 z3="-3.452536"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.799549"
                                 y3="-1.712661"
                                 z3="0.962578"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.206094"
                                 y3="-4.438519"
                                 z3="-1.553325"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-33-18-39(9,10)22-34(4,16-1)20-37(7,28-39)27-38(8)21-36(6,24-39)25-40(11,12,19-33,29-38)23-35(5,17-1)26-41(13,14,30-37,31-38)32(1)33/h2,9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2-1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3OOOOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;s5;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4171,-2.2521,2.9351;2.925,-3.5877,-.196;.0549,2.3825,-2.4483;.0033,2.392,2.7795;1.6367,-2.4425,-.2238;2.3957,2.779,.0294;-2.4067,2.8686,.3829;3.4941,4.0773,.2834;-3.5693,4.0886,.0464;-2.5357,.0435,2.2421;2.9289,-.0917,2.3423;2.7882,.4356,-2.3488;1.1682,-.7609,1.1332;-.1673,-1.4026,-.8003;1.018,1.0543,-.8586;-.988,.8651,.8176;-3.0126,-1.1413,.8379;2.5949,-1.1711,-1.3667;4.1421,.2643,3.532;3.1165,1.43,1.1857;.2113,3.5256,4.055;1.3037,1.1838,3.0869;-1.026,.8381,-2.754;-1.1283,-1.2446,2.7747;-1.2882,2.9295,-1.1213;-.3367,3.3876,-3.7813;1.0615,3.1273,1.2772;.7168,-3.5928,-1.44;3.616,-1.3791,1.3621;3.9907,-.0017,-3.5013;3.562,1.7661,-1.3865;-3.4091,1.5547,1.2975;1.8843,-1.3743,3.5837;1.5441,1.3785,-3.358;-1.5071,1.3765,3.3122;.1266,-.0378,.021;-3.7561,-.284,3.4005;-1.4452,3.5602,1.7314;.8465,-3.2855,1.457;1.3997,3.4399,-1.5041;.0676,-3.42,4.1511;-1.7112,.8914,-3.4525;-3.7995,-1.7127,.9626;1.2061,-4.4385,-1.5533;/R:/0/N:5,28,2,30,41,9,8,21,23,26,17,37,19,29,14,18,39,15,16,31,38,34,24,25,32,33,27,40,35,20,22,13,36,12,1,7,6,4,3,10,11/E:(13,14)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">53</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">53</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.17192868</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01718230</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00390403</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01718230</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00390403</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10427454</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02633685</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 x3="0.438239"
                                 y3="-2.258619"
                                 z3="2.913074"/>
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                                 y3="-3.571191"
                                 z3="-0.1867"/>
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                                 z3="-2.438025"/>
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                                 y3="2.420904"
                                 z3="2.797097"/>
                           <atom elementType="Mo"
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                                 x3="1.61164"
                                 y3="-2.465216"
                                 z3="-0.262843"/>
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                                 y3="2.779694"
                                 z3="0.040399"/>
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                                 id="a7"
                                 x3="-2.406733"
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                                 z3="0.392762"/>
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                                 z3="0.284113"/>
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                                 id="a9"
                                 x3="-3.570463"
                                 y3="4.059459"
                                 z3="0.0467"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.51463"
                                 y3="0.03134"
                                 z3="2.256463"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.952422"
                                 y3="-0.07849"
                                 z3="2.362172"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.778183"
                                 y3="0.435347"
                                 z3="-2.345151"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.200726"
                                 y3="-0.784666"
                                 z3="1.099525"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.206177"
                                 y3="-1.410708"
                                 z3="-0.814149"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.998336"
                                 y3="1.044188"
                                 z3="-0.861238"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.012801"
                                 y3="0.821561"
                                 z3="0.800405"/>
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                                 id="a17"
                                 x3="-3.047253"
                                 y3="-1.145642"
                                 z3="0.866558"/>
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                                 id="a18"
                                 x3="2.560041"
                                 y3="-1.197403"
                                 z3="-1.387997"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.117799"
                                 y3="0.322986"
                                 z3="3.583695"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.115345"
                                 y3="1.457363"
                                 z3="1.20654"/>
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                                 id="a21"
                                 x3="0.222225"
                                 y3="3.550054"
                                 z3="4.074767"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.289221"
                                 y3="1.193532"
                                 z3="3.094996"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.993659"
                                 y3="0.829814"
                                 z3="-2.795371"/>
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                                 id="a24"
                                 x3="-1.115075"
                                 y3="-1.266356"
                                 z3="2.75904"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.309301"
                                 y3="2.916034"
                                 z3="-1.137315"/>
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                                 id="a26"
                                 x3="-0.338236"
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                                 z3="-3.757498"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.052922"
                                 y3="3.14278"
                                 z3="1.285572"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.686683"
                                 y3="-3.61747"
                                 z3="-1.460826"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.720272"
                                 y3="-1.319145"
                                 z3="1.401427"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.993619"
                                 y3="-0.019595"
                                 z3="-3.477546"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.554041"
                                 y3="1.753519"
                                 z3="-1.371767"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.404475"
                                 y3="1.549444"
                                 z3="1.317757"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.902352"
                                 y3="-1.368241"
                                 z3="3.566063"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.561706"
                                 y3="1.388757"
                                 z3="-3.35857"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.493117"
                                 y3="1.379961"
                                 z3="3.314805"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.11744"
                                 y3="-0.059736"
                                 z3="0.011038"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.734887"
                                 y3="-0.259092"
                                 z3="3.425648"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.449253"
                                 y3="3.546388"
                                 z3="1.740507"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.846792"
                                 y3="-3.291705"
                                 z3="1.444973"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.405155"
                                 y3="3.433258"
                                 z3="-1.49926"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.091569"
                                 y3="-3.419804"
                                 z3="4.135315"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.640758"
                                 y3="0.877505"
                                 z3="-3.529829"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.892257"
                                 y3="-1.631269"
                                 z3="0.971849"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.166172"
                                 y3="-4.46729"
                                 z3="-1.583574"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-33-18-39(9,10)22-34(4,16-1)20-37(7,28-39)27-38(8)21-36(6,24-39)25-40(11,12,19-33,29-38)23-35(5,17-1)26-41(13,14,30-37,31-38)32(1)33/h2,9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2-1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3OOOOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;s5;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4382,-2.2586,2.9131;2.9302,-3.5712,-.1867;.0473,2.3882,-2.438;.0075,2.4209,2.7971;1.6116,-2.4652,-.2628;2.394,2.7797,.0404;-2.4067,2.8441,.3928;3.5006,4.0712,.2841;-3.5705,4.0595,.0467;-2.5146,.0313,2.2565;2.9524,-.0785,2.3622;2.7782,.4353,-2.3452;1.2007,-.7847,1.0995;-.2062,-1.4107,-.8141;.9983,1.0442,-.8612;-1.0128,.8216,.8004;-3.0473,-1.1456,.8666;2.56,-1.1974,-1.388;4.1178,.323,3.5837;3.1153,1.4574,1.2065;.2222,3.5501,4.0748;1.2892,1.1935,3.095;-.9937,.8298,-2.7954;-1.1151,-1.2664,2.759;-1.3093,2.916,-1.1373;-.3382,3.4129,-3.7575;1.0529,3.1428,1.2856;.6867,-3.6175,-1.4608;3.7203,-1.3191,1.4014;3.9936,-.0196,-3.4775;3.554,1.7535,-1.3718;-3.4045,1.5494,1.3178;1.9024,-1.3682,3.5661;1.5617,1.3888,-3.3586;-1.4931,1.38,3.3148;.1174,-.0597,.011;-3.7349,-.2591,3.4256;-1.4493,3.5464,1.7405;.8468,-3.2917,1.445;1.4052,3.4333,-1.4993;.0916,-3.4198,4.1353;-1.6408,.8775,-3.5298;-3.8923,-1.6313,.9718;1.1662,-4.4673,-1.5836;/R:/0/N:5,28,2,30,41,9,8,21,23,26,17,37,19,29,14,18,39,15,16,31,38,34,24,25,32,33,27,40,35,20,22,13,36,12,1,7,6,4,3,10,11/E:(13,14)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">54</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">54</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.17391189</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01640047</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00394627</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01640047</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00394627</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07856228</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01553506</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.440056"
                                 y3="-2.262731"
                                 z3="2.902437"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.920953"
                                 y3="-3.558439"
                                 z3="-0.184098"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.042936"
                                 y3="2.38495"
                                 z3="-2.433168"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.010767"
                                 y3="2.44053"
                                 z3="2.80855"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.585969"
                                 y3="-2.475273"
                                 z3="-0.285469"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.3955"
                                 y3="2.775857"
                                 z3="0.044256"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.400354"
                                 y3="2.838131"
                                 z3="0.397391"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.503297"
                                 y3="4.068227"
                                 z3="0.274674"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.568279"
                                 y3="4.047093"
                                 z3="0.044411"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.509468"
                                 y3="0.036627"
                                 z3="2.263981"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.966936"
                                 y3="-0.072379"
                                 z3="2.380733"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.774364"
                                 y3="0.429977"
                                 z3="-2.347689"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.223246"
                                 y3="-0.795633"
                                 z3="1.081843"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.217295"
                                 y3="-1.420893"
                                 z3="-0.806789"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.990173"
                                 y3="1.036794"
                                 z3="-0.862114"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.029789"
                                 y3="0.79868"
                                 z3="0.792304"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.065219"
                                 y3="-1.145735"
                                 z3="0.884899"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.534022"
                                 y3="-1.20405"
                                 z3="-1.396234"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.100861"
                                 y3="0.360075"
                                 z3="3.621548"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.111513"
                                 y3="1.470261"
                                 z3="1.219911"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.230454"
                                 y3="3.566876"
                                 z3="4.088587"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.278643"
                                 y3="1.198859"
                                 z3="3.104624"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.982452"
                                 y3="0.81832"
                                 z3="-2.803836"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.120671"
                                 y3="-1.277015"
                                 z3="2.761134"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.307117"
                                 y3="2.89904"
                                 z3="-1.137484"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.343991"
                                 y3="3.421486"
                                 z3="-3.743192"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.048846"
                                 y3="3.150175"
                                 z3="1.287311"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.682192"
                                 y3="-3.633798"
                                 z3="-1.493738"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.798834"
                                 y3="-1.276432"
                                 z3="1.430139"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.989493"
                                 y3="-0.030915"
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                                 id="a31"
                                 x3="3.553709"
                                 y3="1.738855"
                                 z3="-1.363403"/>
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                                 id="a32"
                                 x3="-3.402689"
                                 y3="1.552429"
                                 z3="1.321096"/>
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                                 id="a33"
                                 x3="1.911844"
                                 y3="-1.37332"
                                 z3="3.551187"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.568274"
                                 y3="1.387241"
                                 z3="-3.365066"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.489517"
                                 y3="1.386629"
                                 z3="3.316018"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.11473"
                                 y3="-0.06862"
                                 z3="0.010813"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.734374"
                                 y3="-0.23592"
                                 z3="3.433347"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.449682"
                                 y3="3.544763"
                                 z3="1.748408"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.824897"
                                 y3="-3.295088"
                                 z3="1.42908"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.40731"
                                 y3="3.424265"
                                 z3="-1.501641"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.092845"
                                 y3="-3.425361"
                                 z3="4.122406"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.611169"
                                 y3="0.866369"
                                 z3="-3.554504"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.924315"
                                 y3="-1.60548"
                                 z3="0.992247"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.187215"
                                 y3="-4.466726"
                                 z3="-1.631929"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-33-18-39(9,10)22-34(4,16-1)20-37(7,28-39)27-38(8)21-36(6,24-39)25-40(11,12,19-33,29-38)23-35(5,17-1)26-41(13,14,30-37,31-38)32(1)33/h2,9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2-1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3OOOOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;s5;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4401,-2.2627,2.9024;2.921,-3.5584,-.1841;.0429,2.3849,-2.4332;.0108,2.4405,2.8085;1.586,-2.4753,-.2855;2.3955,2.7759,.0443;-2.4004,2.8381,.3974;3.5033,4.0682,.2747;-3.5683,4.0471,.0444;-2.5095,.0366,2.264;2.9669,-.0724,2.3807;2.7744,.43,-2.3477;1.2232,-.7956,1.0818;-.2173,-1.4209,-.8068;.9902,1.0368,-.8621;-1.0298,.7987,.7923;-3.0652,-1.1457,.8849;2.534,-1.2041,-1.3962;4.1009,.3601,3.6215;3.1115,1.4703,1.2199;.2305,3.5669,4.0886;1.2786,1.1989,3.1046;-.9825,.8183,-2.8038;-1.1207,-1.277,2.7611;-1.3071,2.899,-1.1375;-.344,3.4215,-3.7432;1.0488,3.1502,1.2873;.6822,-3.6338,-1.4937;3.7988,-1.2764,1.4301;3.9895,-.0309,-3.4774;3.5537,1.7389,-1.3634;-3.4027,1.5524,1.3211;1.9118,-1.3733,3.5512;1.5683,1.3872,-3.3651;-1.4895,1.3866,3.316;.1147,-.0686,.0108;-3.7344,-.2359,3.4333;-1.4497,3.5448,1.7484;.8249,-3.2951,1.4291;1.4073,3.4243,-1.5016;.0928,-3.4254,4.1224;-1.6112,.8664,-3.5545;-3.9243,-1.6055,.9922;1.1872,-4.4667,-1.6319;/R:/0/N:5,28,2,30,41,9,8,21,23,26,17,37,19,29,14,18,39,15,16,31,38,34,24,25,32,33,27,40,35,20,22,13,36,12,1,7,6,4,3,10,11/E:(13,14)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">55</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">55</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.17531805</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01221497</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00362096</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01221497</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00362096</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08590676</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01910411</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.410719"
                                 y3="-2.256857"
                                 z3="2.904171"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.944329"
                                 y3="-3.541003"
                                 z3="-0.171613"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.028091"
                                 y3="2.374804"
                                 z3="-2.440198"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.015421"
                                 y3="2.438054"
                                 z3="2.815393"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.588981"
                                 y3="-2.481582"
                                 z3="-0.280385"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.398106"
                                 y3="2.75937"
                                 z3="0.032557"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.385486"
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                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
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                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-33-18-39(9,10)22-34(4,16-1)20-37(7,28-39)27-38(8)21-36(6,24-39)25-40(11,12,19-33,29-38)23-35(5,17-1)26-41(13,14,30-37,31-38)32(1)33/h2,9,11H">
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                  </module>
               </module>
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                  <module cmlx:templateRef="convergence">
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">56</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.17668046</scalar>
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                     <list cmlx:templateRef="cgradmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:current">0.00329574</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
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                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00329574</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
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                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-33-18-39(9,10)22-34(4,16-1)20-37(7,28-39)27-38(8)21-36(6,24-39)25-40(11,12,19-33,29-38)23-35(5,17-1)26-41(13,14,30-37,31-38)32(1)33/h2,9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1.1,2-1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWO3OOOOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5s11;s5;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4124,-2.2609,2.8995;2.9311,-3.5191,-.1435;.0306,2.3774,-2.4439;.018,2.4458,2.8183;1.5618,-2.4853,-.3014;2.4018,2.7544,.0335;-2.3824,2.849,.406;3.4973,4.0642,.2274;-3.571,4.0383,.0555;-2.5213,.0586,2.2743;2.9814,-.0725,2.428;2.7662,.413,-2.3699;1.2616,-.7892,1.0783;-.2108,-1.4327,-.7733;1.0036,1.0268,-.8612;-1.0332,.8008,.7857;-3.0586,-1.1299,.8849;2.5183,-1.1998,-1.4151;4.0711,.4073,3.6909;3.1021,1.4536,1.2321;.2507,3.5605,4.1073;1.2674,1.1906,3.1077;-1.0066,.8053,-2.7841;-1.1333,-1.2561,2.7699;-1.2843,2.9001,-1.1245;-.3705,3.4306,-3.7373;1.0523,3.1434,1.2799;.6857,-3.6516,-1.5377;3.896,-1.2391,1.5102;3.9574,-.0365,-3.5309;3.5642,1.701,-1.3625;-3.3966,1.5594,1.3145;1.9124,-1.4076,3.5433;1.5546,1.3759,-3.3873;-1.4986,1.3974,3.3157;.128,-.0635,.0198;-3.7604,-.236,3.426;-1.4446,3.5599,1.768;.7525,-3.2891,1.4013;1.4063,3.396,-1.522;.0506,-3.4305,4.1079;-1.6057,.86,-3.5594;-3.8915,-1.6289,1.0212;1.2678,-4.4223,-1.7274;/R:/0/N:5,28,2,30,41,9,8,21,23,26,17,37,19,29,14,18,39,15,16,31,38,34,24,25,32,33,27,40,35,20,22,13,36,12,1,7,6,4,3,10,11/E:(13,14)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,32.3</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">57</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">57</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.17749233</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00939006</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00315007</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00939006</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00315007</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04685283</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01327790</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.420761"
                                 y3="-2.268889"
                                 z3="2.896077"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.928704"
                                 y3="-3.493079"
                                 z3="-0.105934"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.038829"
                                 y3="2.39228"
                                 z3="-2.451486"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.016887"
                                 y3="2.451082"
                                 z3="2.814064"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.539385"
                                 y3="-2.497545"
                                 z3="-0.322063"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.406096"
                                 y3="2.743533"
                                 z3="0.037955"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.385472"
                                 y3="2.842051"
                                 z3="0.404713"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.505944"
                                 y3="4.049113"
                                 z3="0.238321"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.582642"
                                 y3="4.020894"
                                 z3="0.046832"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.521454"
                                 y3="0.05972"
                                 z3="2.28842"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.980693"
                                 y3="-0.065716"
                                 z3="2.429602"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.764602"
                                 y3="0.409848"
                                 z3="-2.36791"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.265382"
                                 y3="-0.798603"
                                 z3="1.065831"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.234338"
                                 y3="-1.43893"
                                 z3="-0.777513"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.006654"
                                 y3="1.027806"
                                 z3="-0.862998"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.0402"
                                 y3="0.795911"
                                 z3="0.779472"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.05837"
                                 y3="-1.138894"
                                 z3="0.904845"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.471492"
                                 y3="-1.183907"
                                 z3="-1.41026"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.044866"
                                 y3="0.441741"
                                 z3="3.703915"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.09138"
                                 y3="1.447937"
                                 z3="1.233888"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.254907"
                                 y3="3.566498"
                                 z3="4.101658"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.257827"
                                 y3="1.188994"
                                 z3="3.100498"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.004716"
                                 y3="0.82522"
                                 z3="-2.800804"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.121927"
                                 y3="-1.251504"
                                 z3="2.778141"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.27526"
                                 y3="2.908886"
                                 z3="-1.122163"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.351141"
                                 y3="3.44793"
                                 z3="-3.745824"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.053474"
                                 y3="3.144677"
                                 z3="1.275985"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.684138"
                                 y3="-3.66907"
                                 z3="-1.561325"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.933421"
                                 y3="-1.212568"
                                 z3="1.524765"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.953839"
                                 y3="-0.046813"
                                 z3="-3.528694"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.570593"
                                 y3="1.684362"
                                 z3="-1.351455"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.397991"
                                 y3="1.555085"
                                 z3="1.322469"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.922972"
                                 y3="-1.41876"
                                 z3="3.524909"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.564692"
                                 y3="1.383961"
                                 z3="-3.387386"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.498295"
                                 y3="1.401968"
                                 z3="3.314785"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.122677"
                                 y3="-0.069979"
                                 z3="0.023424"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.759819"
                                 y3="-0.239336"
                                 z3="3.438916"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.449944"
                                 y3="3.56031"
                                 z3="1.762397"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.733826"
                                 y3="-3.290648"
                                 z3="1.391079"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.417979"
                                 y3="3.394877"
                                 z3="-1.52053"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.078847"
                                 y3="-3.437774"
                                 z3="4.110638"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.590336"
                                 y3="0.883623"
                                 z3="-3.585945"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.88686"
                                 y3="-1.641419"
                                 z3="1.054702"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.261399"
                                 y3="-4.446172"
                                 z3="-1.740409"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+3;-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-33(16-1)19-40(11,12)24-34(4,17-1)21-37(7,8)28-38(9)22-35(5,18-1)25-41(13,14,20-33,31-38)27-36(6,26-40)23-39(10,29-37,30-38)32-40/h2,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOOOOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5;s5;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4208,-2.2689,2.8961;2.9287,-3.4931,-.1059;.0388,2.3923,-2.4515;.0169,2.4511,2.8141;1.5394,-2.4975,-.3221;2.4061,2.7435,.038;-2.3855,2.8421,.4047;3.5059,4.0491,.2383;-3.5826,4.0209,.0468;-2.5215,.0597,2.2884;2.9807,-.0657,2.4296;2.7646,.4098,-2.3679;1.2654,-.7986,1.0658;-.2343,-1.4389,-.7775;1.0067,1.0278,-.863;-1.0402,.7959,.7795;-3.0584,-1.1389,.9048;2.4715,-1.1839,-1.4103;4.0449,.4417,3.7039;3.0914,1.4479,1.2339;.2549,3.5665,4.1017;1.2578,1.189,3.1005;-1.0047,.8252,-2.8008;-1.1219,-1.2515,2.7781;-1.2753,2.9089,-1.1222;-.3511,3.4479,-3.7458;1.0535,3.1447,1.276;.6841,-3.6691,-1.5613;3.9334,-1.2126,1.5248;3.9538,-.0468,-3.5287;3.5706,1.6844,-1.3515;-3.398,1.5551,1.3225;1.923,-1.4188,3.5249;1.5647,1.384,-3.3874;-1.4983,1.402,3.3148;.1227,-.07,.0234;-3.7598,-.2393,3.4389;-1.4499,3.5603,1.7624;.7338,-3.2906,1.3911;1.418,3.3949,-1.5205;.0788,-3.4378,4.1106;-1.5903,.8836,-3.5859;-3.8869,-1.6414,1.0547;1.2614,-4.4462,-1.7404;/R:/0/N:5,28,2,41,30,9,19,29,8,21,17,37,23,26,13,14,39,18,16,15,33,31,38,24,34,32,25,20,22,27,40,35,36,1,12,7,11,6,4,10,3/E:(7,8)(15,16)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,14.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">58</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">58</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.17811813</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01083970</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00330237</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01083970</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00330237</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03909549</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00768003</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.410737"
                                 y3="-2.268138"
                                 z3="2.887898"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.927078"
                                 y3="-3.489498"
                                 z3="-0.087903"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.030606"
                                 y3="2.387882"
                                 z3="-2.447152"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.021518"
                                 y3="2.453459"
                                 z3="2.816374"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.541608"
                                 y3="-2.495051"
                                 z3="-0.326105"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.404535"
                                 y3="2.744893"
                                 z3="0.035226"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.381952"
                                 y3="2.84263"
                                 z3="0.407157"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.499107"
                                 y3="4.056082"
                                 z3="0.228351"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.580406"
                                 y3="4.020181"
                                 z3="0.048301"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.519653"
                                 y3="0.06172"
                                 z3="2.288081"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.985571"
                                 y3="-0.069157"
                                 z3="2.438789"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.761386"
                                 y3="0.410786"
                                 z3="-2.374365"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.274921"
                                 y3="-0.798325"
                                 z3="1.063395"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.222332"
                                 y3="-1.428027"
                                 z3="-0.781259"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.008239"
                                 y3="1.026335"
                                 z3="-0.86043"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.038048"
                                 y3="0.795232"
                                 z3="0.777241"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.058151"
                                 y3="-1.135612"
                                 z3="0.904112"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.510587"
                                 y3="-1.206626"
                                 z3="-1.423246"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.037777"
                                 y3="0.441843"
                                 z3="3.722108"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.099676"
                                 y3="1.451326"
                                 z3="1.236841"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.260521"
                                 y3="3.56614"
                                 z3="4.106147"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.257953"
                                 y3="1.187996"
                                 z3="3.101242"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.006732"
                                 y3="0.816743"
                                 z3="-2.795339"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.126351"
                                 y3="-1.250853"
                                 z3="2.774624"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.275613"
                                 y3="2.899129"
                                 z3="-1.115677"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.366546"
                                 y3="3.440223"
                                 z3="-3.741845"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.054091"
                                 y3="3.142771"
                                 z3="1.276184"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.687332"
                                 y3="-3.660828"
                                 z3="-1.567281"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.950316"
                                 y3="-1.207375"
                                 z3="1.546546"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.946462"
                                 y3="-0.039254"
                                 z3="-3.542087"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.567286"
                                 y3="1.687542"
                                 z3="-1.358905"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.39515"
                                 y3="1.558585"
                                 z3="1.324701"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.916313"
                                 y3="-1.423686"
                                 z3="3.525114"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.555109"
                                 y3="1.384135"
                                 z3="-3.384988"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.494939"
                                 y3="1.403995"
                                 z3="3.31432"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.132659"
                                 y3="-0.066302"
                                 z3="0.022839"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.75916"
                                 y3="-0.236742"
                                 z3="3.4374"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.44575"
                                 y3="3.563627"
                                 z3="1.762892"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.719242"
                                 y3="-3.292351"
                                 z3="1.377152"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.408829"
                                 y3="3.391655"
                                 z3="-1.520591"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.058246"
                                 y3="-3.439098"
                                 z3="4.09802"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.590719"
                                 y3="0.871285"
                                 z3="-3.581895"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.888621"
                                 y3="-1.634756"
                                 z3="1.054208"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.255919"
                                 y3="-4.445815"
                                 z3="-1.740598"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+3;-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2/p-3/rH3MoO31SiW8/c2-1(3)15-33(16-1)19-40(11,12)24-34(4,17-1)21-37(7,8)28-38(9)22-35(5,18-1)25-41(13,14,20-33,31-38)27-36(6,26-40)23-39(10,29-37,30-38)32-40/h2,11,13H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOOOOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5;s5;s3;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4107,-2.2681,2.8879;2.9271,-3.4895,-.0879;.0306,2.3879,-2.4472;.0215,2.4535,2.8164;1.5416,-2.4951,-.3261;2.4045,2.7449,.0352;-2.382,2.8426,.4072;3.4991,4.0561,.2284;-3.5804,4.0202,.0483;-2.5197,.0617,2.2881;2.9856,-.0692,2.4388;2.7614,.4108,-2.3744;1.2749,-.7983,1.0634;-.2223,-1.428,-.7813;1.0082,1.0263,-.8604;-1.038,.7952,.7772;-3.0582,-1.1356,.9041;2.5106,-1.2066,-1.4232;4.0378,.4418,3.7221;3.0997,1.4513,1.2368;.2605,3.5661,4.1061;1.258,1.188,3.1012;-1.0067,.8167,-2.7953;-1.1264,-1.2509,2.7746;-1.2756,2.8991,-1.1157;-.3665,3.4402,-3.7418;1.0541,3.1428,1.2762;.6873,-3.6608,-1.5673;3.9503,-1.2074,1.5465;3.9465,-.0393,-3.5421;3.5673,1.6875,-1.3589;-3.3952,1.5586,1.3247;1.9163,-1.4237,3.5251;1.5551,1.3841,-3.385;-1.4949,1.404,3.3143;.1327,-.0663,.0228;-3.7592,-.2367,3.4374;-1.4458,3.5636,1.7629;.7192,-3.2924,1.3772;1.4088,3.3917,-1.5206;.0582,-3.4391,4.098;-1.5907,.8713,-3.5819;-3.8886,-1.6348,1.0542;1.2559,-4.4458,-1.7406;/R:/0/N:5,28,2,41,30,9,19,29,8,21,17,37,23,26,13,14,39,18,16,15,33,31,38,24,34,32,25,20,22,27,40,35,36,1,12,7,11,6,4,10,3/E:(7,8)(15,16)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,12.1,14.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">59</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">59</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.17847490</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01052379</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00308086</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01052379</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00308086</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01667009</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00460380</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.410436"
                                 y3="-2.268343"
                                 z3="2.887586"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.930255"
                                 y3="-3.479578"
                                 z3="-0.079335"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.030629"
                                 y3="2.390698"
                                 z3="-2.450147"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.021805"
                                 y3="2.450465"
                                 z3="2.814711"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.537381"
                                 y3="-2.498505"
                                 z3="-0.329327"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.4041"
                                 y3="2.741862"
                                 z3="0.035185"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.380806"
                                 y3="2.843457"
                                 z3="0.408278"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.500241"
                                 y3="4.051668"
                                 z3="0.230581"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.583829"
                                 y3="4.014975"
                                 z3="0.045058"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.521065"
                                 y3="0.063709"
                                 z3="2.292207"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.986347"
                                 y3="-0.067073"
                                 z3="2.44169"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.760603"
                                 y3="0.411186"
                                 z3="-2.373072"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.277353"
                                 y3="-0.798566"
                                 z3="1.061647"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.226394"
                                 y3="-1.427672"
                                 z3="-0.779937"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.00966"
                                 y3="1.026324"
                                 z3="-0.859703"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.036674"
                                 y3="0.797246"
                                 z3="0.777781"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.060237"
                                 y3="-1.13512"
                                 z3="0.909089"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.500218"
                                 y3="-1.210176"
                                 z3="-1.433354"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="4.027782"
                                 y3="0.45344"
                                 z3="3.73002"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.099836"
                                 y3="1.447503"
                                 z3="1.236358"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.264029"
                                 y3="3.564055"
                                 z3="4.102934"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.257003"
                                 y3="1.183846"
                                 z3="3.097693"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.009141"
                                 y3="0.822826"
                                 z3="-2.803622"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.125294"
                                 y3="-1.249012"
                                 z3="2.776136"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.27719"
                                 y3="2.901811"
                                 z3="-1.116533"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.361936"
                                 y3="3.443454"
                                 z3="-3.745639"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.054725"
                                 y3="3.140812"
                                 z3="1.275957"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.693183"
                                 y3="-3.664862"
                                 z3="-1.571699"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.962992"
                                 y3="-1.201668"
                                 z3="1.556599"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.941463"
                                 y3="-0.038769"
                                 z3="-3.545075"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.56963"
                                 y3="1.684322"
                                 z3="-1.356819"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.39354"
                                 y3="1.559396"
                                 z3="1.328552"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.919637"
                                 y3="-1.428943"
                                 z3="3.522913"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.554331"
                                 y3="1.385929"
                                 z3="-3.381813"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.495714"
                                 y3="1.405099"
                                 z3="3.316653"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.133502"
                                 y3="-0.066126"
                                 z3="0.02496"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.759173"
                                 y3="-0.237706"
                                 z3="3.442024"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.444932"
                                 y3="3.567307"
                                 z3="1.762341"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.702572"
                                 y3="-3.289416"
                                 z3="1.372073"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.409193"
                                 y3="3.391834"
                                 z3="-1.519793"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.059449"
                                 y3="-3.442019"
                                 z3="4.095896"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.58341"
                                 y3="0.875415"
                                 z3="-3.59741"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.883268"
                                 y3="-1.64355"
                                 z3="1.069111"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.257747"
                                 y3="-4.452834"
                                 z3="-1.745157"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+3;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4,17-1)20-41(14,15)26-35(6,19-1)22-38(10,11)29-39(12)24-34(5,18-1)21-37(8,9,28-39)23-36(7,27-41)25-40(13,30-38,31-39)32-41/h2,8,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4104,-2.2683,2.8876;2.9303,-3.4796,-.0793;.0306,2.3907,-2.4501;.0218,2.4505,2.8147;1.5374,-2.4985,-.3293;2.4041,2.7419,.0352;-2.3808,2.8435,.4083;3.5002,4.0517,.2306;-3.5838,4.015,.0451;-2.5211,.0637,2.2922;2.9863,-.0671,2.4417;2.7606,.4112,-2.3731;1.2774,-.7986,1.0616;-.2264,-1.4277,-.7799;1.0097,1.0263,-.8597;-1.0367,.7972,.7778;-3.0602,-1.1351,.9091;2.5002,-1.2102,-1.4334;4.0278,.4534,3.73;3.0998,1.4475,1.2364;.264,3.5641,4.1029;1.257,1.1838,3.0977;-1.0091,.8228,-2.8036;-1.1253,-1.249,2.7761;-1.2772,2.9018,-1.1165;-.3619,3.4435,-3.7456;1.0547,3.1408,1.276;.6932,-3.6649,-1.5717;3.963,-1.2017,1.5566;3.9415,-.0388,-3.5451;3.5696,1.6843,-1.3568;-3.3935,1.5594,1.3286;1.9196,-1.4289,3.5229;1.5543,1.3859,-3.3818;-1.4957,1.4051,3.3167;.1335,-.0661,.025;-3.7592,-.2377,3.442;-1.4449,3.5673,1.7623;.7026,-3.2894,1.3721;1.4092,3.3918,-1.5198;.0594,-3.442,4.0959;-1.5834,.8754,-3.5974;-3.8833,-1.6436,1.0691;1.2577,-4.4528,-1.7452;/R:/0/N:5,28,2,15,30,41,9,23,26,19,29,8,21,17,37,13,14,18,39,16,34,33,25,31,38,24,32,40,20,22,27,35,36,12,1,7,3,11,6,4,10/E:(10,11)(16,17)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">60</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">60</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.17895437</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01068314</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00281934</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01068314</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00281934</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.18910515</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03710753</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 id="a1"
                                 x3="0.401113"
                                 y3="-2.280657"
                                 z3="2.860824"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.905204"
                                 y3="-3.373159"
                                 z3="0.109771"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.033054"
                                 y3="2.406445"
                                 z3="-2.466428"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.031225"
                                 y3="2.442278"
                                 z3="2.804728"/>
                           <atom elementType="Mo"
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                                 x3="1.489568"
                                 y3="-2.523501"
                                 z3="-0.381617"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.409099"
                                 y3="2.717204"
                                 z3="0.03507"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.369882"
                                 y3="2.842686"
                                 z3="0.413731"/>
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                                 x3="3.501039"
                                 y3="4.029701"
                                 z3="0.242066"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.59319"
                                 y3="3.9859"
                                 z3="0.025584"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.528749"
                                 y3="0.07947"
                                 z3="2.325182"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.992858"
                                 y3="-0.05651"
                                 z3="2.463594"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.753438"
                                 y3="0.409007"
                                 z3="-2.373739"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.294841"
                                 y3="-0.810484"
                                 z3="1.032626"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.253413"
                                 y3="-1.413048"
                                 z3="-0.791788"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.020684"
                                 y3="1.02264"
                                 z3="-0.85898"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.036376"
                                 y3="0.801273"
                                 z3="0.775926"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.05849"
                                 y3="-1.127075"
                                 z3="0.940136"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.464332"
                                 y3="-1.242272"
                                 z3="-1.501115"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.941089"
                                 y3="0.549521"
                                 z3="3.786362"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.098365"
                                 y3="1.42525"
                                 z3="1.230631"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.298696"
                                 y3="3.553231"
                                 z3="4.089919"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.243694"
                                 y3="1.152431"
                                 z3="3.073624"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.018412"
                                 y3="0.851371"
                                 z3="-2.826533"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.118528"
                                 y3="-1.237283"
                                 z3="2.795225"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.270716"
                                 y3="2.916927"
                                 z3="-1.109852"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.35123"
                                 y3="3.456594"
                                 z3="-3.765506"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.060998"
                                 y3="3.12342"
                                 z3="1.273195"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.735491"
                                 y3="-3.693391"
                                 z3="-1.643983"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.0722"
                                 y3="-1.141273"
                                 z3="1.640245"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.920271"
                                 y3="-0.025938"
                                 z3="-3.566213"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.574575"
                                 y3="1.666096"
                                 z3="-1.349936"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.384063"
                                 y3="1.568024"
                                 z3="1.358305"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.939739"
                                 y3="-1.476848"
                                 z3="3.479386"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.547068"
                                 y3="1.39598"
                                 z3="-3.37007"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.49873"
                                 y3="1.421764"
                                 z3="3.324828"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.137927"
                                 y3="-0.066848"
                                 z3="0.034862"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.760501"
                                 y3="-0.247953"
                                 z3="3.47381"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.43753"
                                 y3="3.586368"
                                 z3="1.756073"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.585419"
                                 y3="-3.264634"
                                 z3="1.316555"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.410409"
                                 y3="3.387001"
                                 z3="-1.515289"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.066688"
                                 y3="-3.467029"
                                 z3="4.063118"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.548616"
                                 y3="0.888076"
                                 z3="-3.651081"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.825096"
                                 y3="-1.696612"
                                 z3="1.163299"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.25794"
                                 y3="-4.515445"
                                 z3="-1.790944"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+3;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4,17-1)20-41(14,15)26-35(6,19-1)22-38(10,11)29-39(12)24-34(5,18-1)21-37(8,9,28-39)23-36(7,27-41)25-40(13,30-38,31-39)32-41/h2,8,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4011,-2.2807,2.8608;2.9052,-3.3732,.1098;.0331,2.4064,-2.4664;.0312,2.4423,2.8047;1.4896,-2.5235,-.3816;2.4091,2.7172,.0351;-2.3699,2.8427,.4137;3.501,4.0297,.2421;-3.5932,3.9859,.0256;-2.5287,.0795,2.3252;2.9929,-.0565,2.4636;2.7534,.409,-2.3737;1.2948,-.8105,1.0326;-.2534,-1.413,-.7918;1.0207,1.0226,-.859;-1.0364,.8013,.7759;-3.0585,-1.1271,.9401;2.4643,-1.2423,-1.5011;3.9411,.5495,3.7864;3.0984,1.4252,1.2306;.2987,3.5532,4.0899;1.2437,1.1524,3.0736;-1.0184,.8514,-2.8265;-1.1185,-1.2373,2.7952;-1.2707,2.9169,-1.1099;-.3512,3.4566,-3.7655;1.061,3.1234,1.2732;.7355,-3.6934,-1.644;4.0722,-1.1413,1.6402;3.9203,-.0259,-3.5662;3.5746,1.6661,-1.3499;-3.3841,1.568,1.3583;1.9397,-1.4768,3.4794;1.5471,1.396,-3.3701;-1.4987,1.4218,3.3248;.1379,-.0668,.0349;-3.7605,-.248,3.4738;-1.4375,3.5864,1.7561;.5854,-3.2646,1.3166;1.4104,3.387,-1.5153;.0667,-3.467,4.0631;-1.5486,.8881,-3.6511;-3.8251,-1.6966,1.1633;1.2579,-4.5154,-1.7909;/R:/0/N:5,28,2,15,30,41,9,23,26,19,29,8,21,17,37,13,14,18,39,16,34,33,25,31,38,24,32,40,20,22,27,35,36,12,1,7,3,11,6,4,10/E:(10,11)(16,17)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">61</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">61</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18059293</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01098825</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00338301</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01098825</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00338301</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05513596</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01257108</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.393701"
                                 y3="-2.288735"
                                 z3="2.859049"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.914584"
                                 y3="-3.320312"
                                 z3="0.12677"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.035914"
                                 y3="2.417723"
                                 z3="-2.471814"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.03122"
                                 y3="2.434363"
                                 z3="2.798627"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.473397"
                                 y3="-2.524381"
                                 z3="-0.376897"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.411574"
                                 y3="2.705239"
                                 z3="0.029784"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.366495"
                                 y3="2.84362"
                                 z3="0.410635"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.509478"
                                 y3="4.0121"
                                 z3="0.243226"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.593342"
                                 y3="3.982793"
                                 z3="0.020999"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.531738"
                                 y3="0.084201"
                                 z3="2.332982"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.992902"
                                 y3="-0.053005"
                                 z3="2.475179"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.740087"
                                 y3="0.400965"
                                 z3="-2.379174"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.298418"
                                 y3="-0.805873"
                                 z3="1.040806"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.252868"
                                 y3="-1.416176"
                                 z3="-0.776674"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.024885"
                                 y3="1.01906"
                                 z3="-0.859365"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.02901"
                                 y3="0.8111"
                                 z3="0.776934"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.051798"
                                 y3="-1.114729"
                                 z3="0.934709"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.440706"
                                 y3="-1.261638"
                                 z3="-1.526711"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.917771"
                                 y3="0.5770"
                                 z3="3.804502"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.100685"
                                 y3="1.414891"
                                 z3="1.224361"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.308521"
                                 y3="3.547964"
                                 z3="4.07931"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.236982"
                                 y3="1.137782"
                                 z3="3.069759"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.025749"
                                 y3="0.868132"
                                 z3="-2.826259"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.118225"
                                 y3="-1.23236"
                                 z3="2.804276"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.268913"
                                 y3="2.927136"
                                 z3="-1.111725"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.349589"
                                 y3="3.467536"
                                 z3="-3.770762"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.063716"
                                 y3="3.113685"
                                 z3="1.271273"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.770902"
                                 y3="-3.70636"
                                 z3="-1.653949"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.101663"
                                 y3="-1.1232"
                                 z3="1.667248"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.903496"
                                 y3="-0.027688"
                                 z3="-3.576843"/>
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                                 id="a31"
                                 x3="3.569541"
                                 y3="1.657638"
                                 z3="-1.35981"/>
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                                 id="a32"
                                 x3="-3.381029"
                                 y3="1.571093"
                                 z3="1.365094"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.946298"
                                 y3="-1.495887"
                                 z3="3.469321"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.537951"
                                 y3="1.40155"
                                 z3="-3.368092"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.502814"
                                 y3="1.423385"
                                 z3="3.329212"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.143477"
                                 y3="-0.061046"
                                 z3="0.042344"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.760195"
                                 y3="-0.25971"
                                 z3="3.479345"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.43889"
                                 y3="3.591757"
                                 z3="1.754596"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.530283"
                                 y3="-3.266072"
                                 z3="1.303999"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.409501"
                                 y3="3.390906"
                                 z3="-1.514123"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.063912"
                                 y3="-3.479337"
                                 z3="4.059566"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.548895"
                                 y3="0.898602"
                                 z3="-3.655206"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.79852"
                                 y3="-1.706232"
                                 z3="1.167445"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.280007"
                                 y3="-4.538778"
                                 z3="-1.788346"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+3;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4,17-1)20-41(14,15)26-35(6,19-1)22-38(10,11)29-39(12)24-34(5,18-1)21-37(8,9,28-39)23-36(7,27-41)25-40(13,30-38,31-39)32-41/h2,8,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3937,-2.2887,2.859;2.9146,-3.3203,.1268;.0359,2.4177,-2.4718;.0312,2.4344,2.7986;1.4734,-2.5244,-.3769;2.4116,2.7052,.0298;-2.3665,2.8436,.4106;3.5095,4.0121,.2432;-3.5933,3.9828,.021;-2.5317,.0842,2.333;2.9929,-.053,2.4752;2.7401,.401,-2.3792;1.2984,-.8059,1.0408;-.2529,-1.4162,-.7767;1.0249,1.0191,-.8594;-1.029,.8111,.7769;-3.0518,-1.1147,.9347;2.4407,-1.2616,-1.5267;3.9178,.577,3.8045;3.1007,1.4149,1.2244;.3085,3.548,4.0793;1.237,1.1378,3.0698;-1.0257,.8681,-2.8263;-1.1182,-1.2324,2.8043;-1.2689,2.9271,-1.1117;-.3496,3.4675,-3.7708;1.0637,3.1137,1.2713;.7709,-3.7064,-1.6539;4.1017,-1.1232,1.6672;3.9035,-.0277,-3.5768;3.5695,1.6576,-1.3598;-3.381,1.5711,1.3651;1.9463,-1.4959,3.4693;1.538,1.4016,-3.3681;-1.5028,1.4234,3.3292;.1435,-.061,.0423;-3.7602,-.2597,3.4793;-1.4389,3.5918,1.7546;.5303,-3.2661,1.304;1.4095,3.3909,-1.5141;.0639,-3.4793,4.0596;-1.5489,.8986,-3.6552;-3.7985,-1.7062,1.1674;1.28,-4.5388,-1.7883;/R:/0/N:5,28,2,15,30,41,9,23,26,19,29,8,21,17,37,13,14,18,39,16,34,33,25,31,38,24,32,40,20,22,27,35,36,12,1,7,3,11,6,4,10/E:(10,11)(16,17)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">62</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">62</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18130038</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01343800</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00346143</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01343800</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00346143</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.13868599</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02375450</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.389319"
                                 y3="-2.300782"
                                 z3="2.843331"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.885847"
                                 y3="-3.190016"
                                 z3="0.265456"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.03853"
                                 y3="2.424359"
                                 z3="-2.478576"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.036696"
                                 y3="2.426212"
                                 z3="2.798848"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.43819"
                                 y3="-2.535583"
                                 z3="-0.393343"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.414041"
                                 y3="2.697063"
                                 z3="0.02284"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.353001"
                                 y3="2.844385"
                                 z3="0.413091"/>
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                                 id="a8"
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                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+3;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4,17-1)20-41(14,15)26-35(6,19-1)22-38(10,11)29-39(12)24-34(5,18-1)21-37(8,9,28-39)23-36(7,27-41)25-40(13,30-38,31-39)32-41/h2,8,14H">
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                  </module>
               </module>
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                  <module cmlx:templateRef="convergence">
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                     </list>
                     <list cmlx:templateRef="energy">
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+3;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4,17-1)20-41(14,15)26-35(6,19-1)22-38(10,11)29-39(12)24-34(5,18-1)21-37(8,9,28-39)23-36(7,27-41)25-40(13,30-38,31-39)32-41/h2,8,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3892,-2.3075,2.8394;2.878,-3.1703,.2652;.0437,2.4189,-2.4791;.033,2.4304,2.7975;1.4245,-2.5332,-.3891;2.4145,2.7078,.0179;-2.3485,2.8436,.4054;3.5199,4.0093,.2304;-3.5779,3.9815,.0194;-2.527,.0818,2.3346;2.995,-.0523,2.4751;2.7201,.3838,-2.3789;1.2978,-.7922,1.0636;-.241,-1.3991,-.745;1.0383,1.0184,-.8636;-1.011,.8415,.7982;-3.0278,-1.0979,.9151;2.3885,-1.2815,-1.5466;3.9024,.5662,3.8232;3.0963,1.4135,1.2068;.3174,3.5478,4.0751;1.2201,1.1209,3.0748;-1.0418,.8765,-2.7969;-1.1157,-1.2316,2.8353;-1.2474,2.9275,-1.1143;-.3519,3.4664,-3.7768;1.0664,3.1103,1.2714;.8374,-3.7531,-1.6941;4.1319,-1.0991,1.6827;3.8902,-.0414,-3.5699;3.5547,1.6608,-1.3834;-3.3758,1.5693,1.359;1.9589,-1.5292,3.4398;1.5247,1.3874,-3.3819;-1.5078,1.4313,3.3394;.1595,-.0346,.0662;-3.751,-.27,3.4825;-1.4435,3.6008,1.7586;.4494,-3.2711,1.2768;1.4115,3.4067,-1.5227;.0642,-3.5115,4.0272;-1.5909,.8901,-3.6089;-3.7696,-1.7059,1.1197;1.3349,-4.5925,-1.8236;/R:/0/N:5,28,2,15,30,41,9,23,26,19,29,8,21,17,37,13,14,18,39,16,34,33,25,31,38,24,32,40,20,22,27,35,36,12,1,7,3,11,6,4,10/E:(10,11)(16,17)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">64</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">64</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18308408</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01604909</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00366485</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01604909</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00366485</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10503404</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02322206</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.383226"
                                 y3="-2.314552"
                                 z3="2.80857"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.811271"
                                 y3="-3.065216"
                                 z3="0.361576"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.049964"
                                 y3="2.418799"
                                 z3="-2.480736"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.033715"
                                 y3="2.440396"
                                 z3="2.796835"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.378973"
                                 y3="-2.544042"
                                 z3="-0.422713"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.418374"
                                 y3="2.709276"
                                 z3="0.011806"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.340082"
                                 y3="2.833032"
                                 z3="0.404095"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.529972"
                                 y3="4.005643"
                                 z3="0.217134"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.576349"
                                 y3="3.958542"
                                 z3="0.005357"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.516367"
                                 y3="0.082595"
                                 z3="2.343018"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.999908"
                                 y3="-0.057045"
                                 z3="2.481351"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.709342"
                                 y3="0.37146"
                                 z3="-2.381751"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.314235"
                                 y3="-0.790696"
                                 z3="1.067392"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.248127"
                                 y3="-1.378004"
                                 z3="-0.727383"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.047768"
                                 y3="1.016861"
                                 z3="-0.868425"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.998561"
                                 y3="0.853693"
                                 z3="0.807699"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.99857"
                                 y3="-1.107518"
                                 z3="0.928516"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.363138"
                                 y3="-1.288053"
                                 z3="-1.553985"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.866812"
                                 y3="0.566708"
                                 z3="3.854575"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.093533"
                                 y3="1.418348"
                                 z3="1.206418"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.323515"
                                 y3="3.560073"
                                 z3="4.072717"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.201132"
                                 y3="1.115705"
                                 z3="3.079001"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.048175"
                                 y3="0.876904"
                                 z3="-2.770506"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.097611"
                                 y3="-1.21245"
                                 z3="2.846412"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.225509"
                                 y3="2.933008"
                                 z3="-1.108897"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.354091"
                                 y3="3.468156"
                                 z3="-3.772652"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.063489"
                                 y3="3.115428"
                                 z3="1.265993"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.875393"
                                 y3="-3.785513"
                                 z3="-1.736486"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.183342"
                                 y3="-1.073802"
                                 z3="1.717783"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.883432"
                                 y3="-0.068686"
                                 z3="-3.564151"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.548835"
                                 y3="1.655157"
                                 z3="-1.392943"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.369756"
                                 y3="1.559523"
                                 z3="1.357736"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.966361"
                                 y3="-1.555771"
                                 z3="3.407815"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.519199"
                                 y3="1.37521"
                                 z3="-3.39556"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.506874"
                                 y3="1.441358"
                                 z3="3.345114"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.178409"
                                 y3="-0.020953"
                                 z3="0.081771"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.738873"
                                 y3="-0.264995"
                                 z3="3.493323"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.454422"
                                 y3="3.603402"
                                 z3="1.762727"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.371715"
                                 y3="-3.264188"
                                 z3="1.232832"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.419174"
                                 y3="3.409211"
                                 z3="-1.53203"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.049187"
                                 y3="-3.523753"
                                 z3="3.98913"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.618559"
                                 y3="0.885741"
                                 z3="-3.567733"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.740004"
                                 y3="-1.720542"
                                 z3="1.118516"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.382017"
                                 y3="-4.619745"
                                 z3="-1.863661"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+3;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4,17-1)20-41(14,15)26-35(6,19-1)22-38(10,11)29-39(12)24-34(5,18-1)21-37(8,9,28-39)23-36(7,27-41)25-40(13,30-38,31-39)32-41/h2,8,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3832,-2.3146,2.8086;2.8113,-3.0652,.3616;.05,2.4188,-2.4807;.0337,2.4404,2.7968;1.379,-2.544,-.4227;2.4184,2.7093,.0118;-2.3401,2.833,.4041;3.53,4.0056,.2171;-3.5763,3.9585,.0054;-2.5164,.0826,2.343;2.9999,-.057,2.4814;2.7093,.3715,-2.3818;1.3142,-.7907,1.0674;-.2481,-1.378,-.7274;1.0478,1.0169,-.8684;-.9986,.8537,.8077;-2.9986,-1.1075,.9285;2.3631,-1.2881,-1.554;3.8668,.5667,3.8546;3.0935,1.4183,1.2064;.3235,3.5601,4.0727;1.2011,1.1157,3.079;-1.0482,.8769,-2.7705;-1.0976,-1.2125,2.8464;-1.2255,2.933,-1.1089;-.3541,3.4682,-3.7727;1.0635,3.1154,1.266;.8754,-3.7855,-1.7365;4.1833,-1.0738,1.7178;3.8834,-.0687,-3.5642;3.5488,1.6552,-1.3929;-3.3698,1.5595,1.3577;1.9664,-1.5558,3.4078;1.5192,1.3752,-3.3956;-1.5069,1.4414,3.3451;.1784,-.021,.0818;-3.7389,-.265,3.4933;-1.4544,3.6034,1.7627;.3717,-3.2642,1.2328;1.4192,3.4092,-1.532;.0492,-3.5238,3.9891;-1.6186,.8857,-3.5677;-3.74,-1.7205,1.1185;1.382,-4.6197,-1.8637;/R:/0/N:5,28,2,15,30,41,9,23,26,19,29,8,21,17,37,13,14,18,39,16,34,33,25,31,38,24,32,40,20,22,27,35,36,12,1,7,3,11,6,4,10/E:(10,11)(16,17)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">65</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">65</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18330839</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01188157</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00364946</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01188157</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00364946</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07817889</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01428028</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.385808"
                                 y3="-2.304005"
                                 z3="2.815561"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.837727"
                                 y3="-3.143395"
                                 z3="0.302346"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.048847"
                                 y3="2.409558"
                                 z3="-2.475039"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.027937"
                                 y3="2.44479"
                                 z3="2.796058"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.396931"
                                 y3="-2.547327"
                                 z3="-0.410954"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.416255"
                                 y3="2.722726"
                                 z3="0.013633"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.344727"
                                 y3="2.837386"
                                 z3="0.403559"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.526331"
                                 y3="4.020045"
                                 z3="0.217914"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.57445"
                                 y3="3.970586"
                                 z3="0.006392"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.516902"
                                 y3="0.084382"
                                 z3="2.333532"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.991922"
                                 y3="-0.061556"
                                 z3="2.465537"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.714893"
                                 y3="0.3763"
                                 z3="-2.378068"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.298326"
                                 y3="-0.789582"
                                 z3="1.073388"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.246119"
                                 y3="-1.37045"
                                 z3="-0.73633"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.041911"
                                 y3="1.02117"
                                 z3="-0.869033"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.99409"
                                 y3="0.860628"
                                 z3="0.816125"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.989212"
                                 y3="-1.114696"
                                 z3="0.92831"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.382314"
                                 y3="-1.279159"
                                 z3="-1.539156"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.880759"
                                 y3="0.518942"
                                 z3="3.842283"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.091264"
                                 y3="1.424736"
                                 z3="1.206835"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.309497"
                                 y3="3.565605"
                                 z3="4.072897"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.205306"
                                 y3="1.129189"
                                 z3="3.081842"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.046933"
                                 y3="0.865965"
                                 z3="-2.762302"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.09917"
                                 y3="-1.206367"
                                 z3="2.849354"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.229264"
                                 y3="2.934252"
                                 z3="-1.108331"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.357012"
                                 y3="3.461005"
                                 z3="-3.765062"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.06028"
                                 y3="3.122253"
                                 z3="1.265356"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.86417"
                                 y3="-3.785108"
                                 z3="-1.716234"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.139242"
                                 y3="-1.098958"
                                 z3="1.675962"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.894664"
                                 y3="-0.07132"
                                 z3="-3.552514"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.548404"
                                 y3="1.664845"
                                 z3="-1.388435"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.372157"
                                 y3="1.56033"
                                 z3="1.348941"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.958799"
                                 y3="-1.541209"
                                 z3="3.423984"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.520907"
                                 y3="1.371394"
                                 z3="-3.397179"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.509858"
                                 y3="1.444433"
                                 z3="3.344787"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.174285"
                                 y3="-0.020371"
                                 z3="0.078261"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.740817"
                                 y3="-0.252944"
                                 z3="3.485525"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.455923"
                                 y3="3.603517"
                                 z3="1.762184"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.410102"
                                 y3="-3.271325"
                                 z3="1.244047"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.418741"
                                 y3="3.410072"
                                 z3="-1.53165"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.042571"
                                 y3="-3.508599"
                                 z3="3.998016"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.636083"
                                 y3="0.885557"
                                 z3="-3.545833"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.737943"
                                 y3="-1.722906"
                                 z3="1.104485"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.395965"
                                 y3="-4.601687"
                                 z3="-1.855395"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+3;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4,17-1)20-41(14,15)26-35(6,19-1)22-38(10,11)29-39(12)24-34(5,18-1)21-37(8,9,28-39)23-36(7,27-41)25-40(13,30-38,31-39)32-41/h2,8,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;11;12;3;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s5;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3858,-2.304,2.8156;2.8377,-3.1434,.3023;.0488,2.4096,-2.475;.0279,2.4448,2.7961;1.3969,-2.5473,-.411;2.4163,2.7227,.0136;-2.3447,2.8374,.4036;3.5263,4.02,.2179;-3.5745,3.9706,.0064;-2.5169,.0844,2.3335;2.9919,-.0616,2.4655;2.7149,.3763,-2.3781;1.2983,-.7896,1.0734;-.2461,-1.3704,-.7363;1.0419,1.0212,-.869;-.9941,.8606,.8161;-2.9892,-1.1147,.9283;2.3823,-1.2792,-1.5392;3.8808,.5189,3.8423;3.0913,1.4247,1.2068;.3095,3.5656,4.0729;1.2053,1.1292,3.0818;-1.0469,.866,-2.7623;-1.0992,-1.2064,2.8494;-1.2293,2.9343,-1.1083;-.357,3.461,-3.7651;1.0603,3.1223,1.2654;.8642,-3.7851,-1.7162;4.1392,-1.099,1.676;3.8947,-.0713,-3.5525;3.5484,1.6648,-1.3884;-3.3722,1.5603,1.3489;1.9588,-1.5412,3.424;1.5209,1.3714,-3.3972;-1.5099,1.4444,3.3448;.1743,-.0204,.0783;-3.7408,-.2529,3.4855;-1.4559,3.6035,1.7622;.4101,-3.2713,1.244;1.4187,3.4101,-1.5316;.0426,-3.5086,3.998;-1.6361,.8856,-3.5458;-3.7379,-1.7229,1.1045;1.396,-4.6017,-1.8554;/R:/0/N:5,28,2,15,30,41,9,23,26,19,29,8,21,17,37,13,14,18,39,16,34,33,25,31,38,24,32,40,20,22,27,35,36,12,1,7,3,11,6,4,10/E:(10,11)(16,17)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">66</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">66</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18422179</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01284339</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00306151</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01284339</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00306151</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02085629</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00717782</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.38357"
                                 y3="-2.299299"
                                 z3="2.808594"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.825229"
                                 y3="-3.143324"
                                 z3="0.294103"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.048389"
                                 y3="2.407185"
                                 z3="-2.473915"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.024469"
                                 y3="2.446044"
                                 z3="2.790987"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.381697"
                                 y3="-2.55575"
                                 z3="-0.423389"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.417737"
                                 y3="2.722859"
                                 z3="0.016504"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.34588"
                                 y3="2.835941"
                                 z3="0.404358"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.525325"
                                 y3="4.022447"
                                 z3="0.223652"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.575384"
                                 y3="3.968537"
                                 z3="0.002366"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.518487"
                                 y3="0.090369"
                                 z3="2.341527"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.992107"
                                 y3="-0.065966"
                                 z3="2.461408"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.713043"
                                 y3="0.379568"
                                 z3="-2.378899"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.300786"
                                 y3="-0.786664"
                                 z3="1.076898"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.238588"
                                 y3="-1.373689"
                                 z3="-0.738682"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.043889"
                                 y3="1.020637"
                                 z3="-0.868822"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.98407"
                                 y3="0.867766"
                                 z3="0.82673"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.972198"
                                 y3="-1.113384"
                                 z3="0.936605"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.366396"
                                 y3="-1.279901"
                                 z3="-1.558541"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.860949"
                                 y3="0.518334"
                                 z3="3.849191"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.090188"
                                 y3="1.421967"
                                 z3="1.208789"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.309344"
                                 y3="3.56904"
                                 z3="4.065326"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.199903"
                                 y3="1.128671"
                                 z3="3.080074"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.036429"
                                 y3="0.856216"
                                 z3="-2.76119"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.092276"
                                 y3="-1.19075"
                                 z3="2.86906"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.228208"
                                 y3="2.928474"
                                 z3="-1.101947"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.365617"
                                 y3="3.459652"
                                 z3="-3.761406"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.060609"
                                 y3="3.119979"
                                 z3="1.261924"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.868208"
                                 y3="-3.800981"
                                 z3="-1.719731"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.146347"
                                 y3="-1.092185"
                                 z3="1.676024"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.89835"
                                 y3="-0.067293"
                                 z3="-3.54806"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.548421"
                                 y3="1.661138"
                                 z3="-1.38211"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.372704"
                                 y3="1.56068"
                                 z3="1.352658"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.961485"
                                 y3="-1.551801"
                                 z3="3.419109"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.522306"
                                 y3="1.377706"
                                 z3="-3.397684"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.517005"
                                 y3="1.45505"
                                 z3="3.350558"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.179426"
                                 y3="-0.021386"
                                 z3="0.082586"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.743029"
                                 y3="-0.253025"
                                 z3="3.491336"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.456512"
                                 y3="3.608605"
                                 z3="1.75751"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.389246"
                                 y3="-3.258581"
                                 z3="1.229894"/>
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                                 id="a40"
                                 x3="1.417794"
                                 y3="3.406876"
                                 z3="-1.529653"/>
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                                 id="a41"
                                 x3="0.039115"
                                 y3="-3.503537"
                                 z3="3.990164"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.627489"
                                 y3="0.878719"
                                 z3="-3.54323"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.718187"
                                 y3="-1.726412"
                                 z3="1.106112"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.411237"
                                 y3="-4.609834"
                                 z3="-1.861191"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3836,-2.2993,2.8086;2.8252,-3.1433,.2941;.0484,2.4072,-2.4739;.0245,2.446,2.791;1.3817,-2.5558,-.4234;2.4177,2.7229,.0165;-2.3459,2.8359,.4044;3.5253,4.0224,.2237;-3.5754,3.9685,.0024;-2.5185,.0904,2.3415;2.9921,-.066,2.4614;2.713,.3796,-2.3789;1.3008,-.7867,1.0769;-.2386,-1.3737,-.7387;1.0439,1.0206,-.8688;-.9841,.8678,.8267;-2.9722,-1.1134,.9366;2.3664,-1.2799,-1.5585;3.8609,.5183,3.8492;3.0902,1.422,1.2088;.3093,3.569,4.0653;1.1999,1.1287,3.0801;-1.0364,.8562,-2.7612;-1.0923,-1.1907,2.8691;-1.2282,2.9285,-1.1019;-.3656,3.4597,-3.7614;1.0606,3.12,1.2619;.8682,-3.801,-1.7197;4.1463,-1.0922,1.676;3.8984,-.0673,-3.5481;3.5484,1.6611,-1.3821;-3.3727,1.5607,1.3527;1.9615,-1.5518,3.4191;1.5223,1.3777,-3.3977;-1.517,1.455,3.3506;.1794,-.0214,.0826;-3.743,-.253,3.4913;-1.4565,3.6086,1.7575;.3892,-3.2586,1.2299;1.4178,3.4069,-1.5297;.0391,-3.5035,3.9902;-1.6275,.8787,-3.5432;-3.7182,-1.7264,1.1061;1.4112,-4.6098,-1.8612;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">67</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">67</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18504152</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01110197</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00270055</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01110197</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00270055</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06842072</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02125660</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 x3="0.375805"
                                 y3="-2.283355"
                                 z3="2.7873"/>
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                                 y3="-3.112203"
                                 z3="0.267328"/>
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                                 y3="2.405001"
                                 z3="-2.467954"/>
                           <atom elementType="W"
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                                 y3="2.451499"
                                 z3="2.776304"/>
                           <atom elementType="Mo"
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                                 x3="1.3358"
                                 y3="-2.586349"
                                 z3="-0.455327"/>
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                                 x3="2.429424"
                                 y3="2.721667"
                                 z3="0.020355"/>
                           <atom elementType="W"
                                 id="a7"
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                                 x3="-3.58957"
                                 y3="3.944851"
                                 z3="-0.012326"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.516024"
                                 y3="0.102206"
                                 z3="2.356589"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.985667"
                                 y3="-0.07436"
                                 z3="2.456665"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.703817"
                                 y3="0.374783"
                                 z3="-2.382787"/>
                           <atom elementType="O"
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                                 x3="1.307402"
                                 y3="-0.779543"
                                 z3="1.088875"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.246397"
                                 y3="-1.363284"
                                 z3="-0.723793"/>
                           <atom elementType="O"
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                                 x3="1.045598"
                                 y3="1.02208"
                                 z3="-0.869597"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.951558"
                                 y3="0.891333"
                                 z3="0.862326"/>
                           <atom elementType="O"
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                                 x3="-2.923287"
                                 y3="-1.126223"
                                 z3="0.961309"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.317736"
                                 y3="-1.290826"
                                 z3="-1.603407"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.798803"
                                 y3="0.523966"
                                 z3="3.873607"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.092383"
                                 y3="1.419201"
                                 z3="1.220701"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.303717"
                                 y3="3.580948"
                                 z3="4.044403"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.1808"
                                 y3="1.135846"
                                 z3="3.078021"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.020323"
                                 y3="0.848582"
                                 z3="-2.7614"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.056913"
                                 y3="-1.136443"
                                 z3="2.904176"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.222779"
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                                 z3="-1.091631"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.368653"
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                                 z3="-3.748616"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.062431"
                                 y3="3.123034"
                                 z3="1.250129"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.876458"
                                 y3="-3.856661"
                                 z3="-1.727654"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.177673"
                                 y3="-1.07529"
                                 z3="1.690148"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.89759"
                                 y3="-0.074783"
                                 z3="-3.543288"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.549222"
                                 y3="1.637481"
                                 z3="-1.367417"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.373631"
                                 y3="1.548815"
                                 z3="1.354266"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.965368"
                                 y3="-1.578243"
                                 z3="3.408073"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.52832"
                                 y3="1.393611"
                                 z3="-3.398584"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.535793"
                                 y3="1.477166"
                                 z3="3.366783"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.198028"
                                 y3="-0.011285"
                                 z3="0.100615"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.739534"
                                 y3="-0.257653"
                                 z3="3.50234"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.468616"
                                 y3="3.616075"
                                 z3="1.748975"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.327848"
                                 y3="-3.227554"
                                 z3="1.185515"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.429127"
                                 y3="3.400827"
                                 z3="-1.527202"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.027865"
                                 y3="-3.496682"
                                 z3="3.95844"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.626339"
                                 y3="0.891883"
                                 z3="-3.531404"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.649766"
                                 y3="-1.764603"
                                 z3="1.121245"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.450226"
                                 y3="-4.642655"
                                 z3="-1.877534"/>
                        </atomArray>
                        <bondArray>
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                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3758,-2.2834,2.7873;2.8004,-3.1122,.2673;.0545,2.405,-2.468;.0116,2.4515,2.7763;1.3358,-2.5863,-.4553;2.4294,2.7217,.0204;-2.3507,2.8263,.4015;3.5399,4.0193,.2295;-3.5896,3.9449,-.0123;-2.516,.1022,2.3566;2.9857,-.0744,2.4567;2.7038,.3748,-2.3828;1.3074,-.7795,1.0889;-.2464,-1.3633,-.7238;1.0456,1.0221,-.8696;-.9516,.8913,.8623;-2.9233,-1.1262,.9613;2.3177,-1.2908,-1.6034;3.7988,.524,3.8736;3.0924,1.4192,1.2207;.3037,3.5809,4.0444;1.1808,1.1358,3.078;-1.0203,.8486,-2.7614;-1.0569,-1.1364,2.9042;-1.2228,2.9364,-1.0916;-.3687,3.4638,-3.7486;1.0624,3.123,1.2501;.8765,-3.8567,-1.7277;4.1777,-1.0753,1.6901;3.8976,-.0748,-3.5433;3.5492,1.6375,-1.3674;-3.3736,1.5488,1.3543;1.9654,-1.5782,3.4081;1.5283,1.3936,-3.3986;-1.5358,1.4772,3.3668;.198,-.0113,.1006;-3.7395,-.2577,3.5023;-1.4686,3.6161,1.749;.3278,-3.2276,1.1855;1.4291,3.4008,-1.5272;.0279,-3.4967,3.9584;-1.6263,.8919,-3.5314;-3.6498,-1.7646,1.1212;1.4502,-4.6427,-1.8775;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">68</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">68</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18606514</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01258418</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00285773</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01258418</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00285773</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01486735</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00481460</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.378706"
                                 y3="-2.279543"
                                 z3="2.789049"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.796594"
                                 y3="-3.122722"
                                 z3="0.253832"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.054968"
                                 y3="2.405003"
                                 z3="-2.465432"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.008931"
                                 y3="2.45392"
                                 z3="2.772788"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.330541"
                                 y3="-2.588468"
                                 z3="-0.460228"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.431954"
                                 y3="2.72075"
                                 z3="0.023796"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.354145"
                                 y3="2.82458"
                                 z3="0.399461"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.540589"
                                 y3="4.019852"
                                 z3="0.232304"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.59221"
                                 y3="3.943527"
                                 z3="-0.014918"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.513662"
                                 y3="0.104538"
                                 z3="2.357711"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.984986"
                                 y3="-0.076195"
                                 z3="2.457264"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.702982"
                                 y3="0.376153"
                                 z3="-2.385935"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.30846"
                                 y3="-0.777114"
                                 z3="1.093964"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.251931"
                                 y3="-1.361462"
                                 z3="-0.720447"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.039291"
                                 y3="1.023447"
                                 z3="-0.869383"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.946277"
                                 y3="0.890987"
                                 z3="0.871377"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.912455"
                                 y3="-1.12976"
                                 z3="0.963991"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.303002"
                                 y3="-1.291855"
                                 z3="-1.618274"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.795842"
                                 y3="0.522217"
                                 z3="3.875527"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.094184"
                                 y3="1.42198"
                                 z3="1.228437"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.298718"
                                 y3="3.584553"
                                 z3="4.040755"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.180816"
                                 y3="1.143388"
                                 z3="3.080338"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.012808"
                                 y3="0.845895"
                                 z3="-2.76928"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.051858"
                                 y3="-1.130934"
                                 z3="2.918965"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.227639"
                                 y3="2.930463"
                                 z3="-1.093475"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.369575"
                                 y3="3.464869"
                                 z3="-3.744603"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.063429"
                                 y3="3.12564"
                                 z3="1.248256"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.865088"
                                 y3="-3.86252"
                                 z3="-1.728134"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.178587"
                                 y3="-1.073916"
                                 z3="1.691027"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.900364"
                                 y3="-0.071411"
                                 z3="-3.54364"/>
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                                 id="a31"
                                 x3="3.549205"
                                 y3="1.630332"
                                 z3="-1.359773"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.375918"
                                 y3="1.545458"
                                 z3="1.349681"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.967151"
                                 y3="-1.578423"
                                 z3="3.413956"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.535143"
                                 y3="1.40263"
                                 z3="-3.398946"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.540202"
                                 y3="1.481241"
                                 z3="3.367361"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.196874"
                                 y3="-0.012155"
                                 z3="0.103208"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.738572"
                                 y3="-0.258677"
                                 z3="3.501015"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.469269"
                                 y3="3.61477"
                                 z3="1.745344"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.336057"
                                 y3="-3.222225"
                                 z3="1.183608"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.431714"
                                 y3="3.397204"
                                 z3="-1.525679"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.033201"
                                 y3="-3.49851"
                                 z3="3.955863"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.619848"
                                 y3="0.896452"
                                 z3="-3.538176"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.63921"
                                 y3="-1.768609"
                                 z3="1.120445"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.441703"
                                 y3="-4.646651"
                                 z3="-1.877399"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3787,-2.2795,2.789;2.7966,-3.1227,.2538;.055,2.405,-2.4654;.0089,2.4539,2.7728;1.3305,-2.5885,-.4602;2.432,2.7207,.0238;-2.3541,2.8246,.3995;3.5406,4.0199,.2323;-3.5922,3.9435,-.0149;-2.5137,.1045,2.3577;2.985,-.0762,2.4573;2.703,.3762,-2.3859;1.3085,-.7771,1.094;-.2519,-1.3615,-.7204;1.0393,1.0234,-.8694;-.9463,.891,.8714;-2.9125,-1.1298,.964;2.303,-1.2919,-1.6183;3.7958,.5222,3.8755;3.0942,1.422,1.2284;.2987,3.5846,4.0408;1.1808,1.1434,3.0803;-1.0128,.8459,-2.7693;-1.0519,-1.1309,2.919;-1.2276,2.9305,-1.0935;-.3696,3.4649,-3.7446;1.0634,3.1256,1.2483;.8651,-3.8625,-1.7281;4.1786,-1.0739,1.691;3.9004,-.0714,-3.5436;3.5492,1.6303,-1.3598;-3.3759,1.5455,1.3497;1.9672,-1.5784,3.414;1.5351,1.4026,-3.3989;-1.5402,1.4812,3.3674;.1969,-.0122,.1032;-3.7386,-.2587,3.501;-1.4693,3.6148,1.7453;.3361,-3.2222,1.1836;1.4317,3.3972,-1.5257;.0332,-3.4985,3.9559;-1.6198,.8965,-3.5382;-3.6392,-1.7686,1.1204;1.4417,-4.6467,-1.8774;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">69</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">69</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18641189</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01127934</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00264965</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01127934</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00264965</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04746805</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01224774</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.394196"
                                 y3="-2.27312"
                                 z3="2.793412"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.802059"
                                 y3="-3.115226"
                                 z3="0.206363"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.058072"
                                 y3="2.400747"
                                 z3="-2.45934"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.005108"
                                 y3="2.457549"
                                 z3="2.773107"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.314227"
                                 y3="-2.594479"
                                 z3="-0.471434"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.435738"
                                 y3="2.722475"
                                 z3="0.034728"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.362946"
                                 y3="2.822184"
                                 z3="0.398729"/>
                           <atom elementType="O"
                                 id="a8"
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                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
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                  </module>
               </module>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
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                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3959,-2.2738,2.7929;2.8001,-3.1061,.2029;.0604,2.403,-2.4596;.0021,2.4588,2.7691;1.3109,-2.5939,-.4773;2.4379,2.7188,.0367;-2.3684,2.8221,.3954;3.5443,4.0197,.2418;-3.6007,3.9468,-.0178;-2.5055,.106,2.3605;2.9855,-.0783,2.4656;2.7047,.374,-2.3906;1.3096,-.7684,1.1108;-.2691,-1.3544,-.6978;1.0197,1.0249,-.8674;-.9351,.8943,.8989;-2.8864,-1.1414,.9676;2.2483,-1.3031,-1.6651;3.798,.5366,3.8763;3.0996,1.4371,1.2585;.2828,3.5989,4.0311;1.1835,1.1667,3.0912;-.9942,.8423,-2.805;-1.0332,-1.125,2.9448;-1.2444,2.9052,-1.1054;-.3582,3.4639,-3.7404;1.0637,3.1364,1.2471;.8114,-3.8805,-1.7343;4.1911,-1.069,1.7095;3.9159,-.0655,-3.5365;3.5453,1.6049,-1.3313;-3.3842,1.532,1.3326;1.9795,-1.5769,3.4309;1.5596,1.4169,-3.4005;-1.5544,1.4893,3.3667;.1925,-.0065,.1157;-3.7308,-.2717,3.4987;-1.4755,3.6076,1.7381;.3661,-3.2176,1.1853;1.4433,3.3873,-1.5225;.0613,-3.5152,3.9402;-1.6006,.9126,-3.5728;-3.6219,-1.7712,1.1198;1.3829,-4.6689,-1.8789;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">71</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">71</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18723002</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01378819</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00218615</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01378819</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00218615</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02777865</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00625447</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.39965"
                                 y3="-2.274257"
                                 z3="2.791236"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.802231"
                                 y3="-3.096436"
                                 z3="0.18131"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.062905"
                                 y3="2.404337"
                                 z3="-2.45917"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.000316"
                                 y3="2.458801"
                                 z3="2.769111"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.305347"
                                 y3="-2.592162"
                                 z3="-0.485701"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.439216"
                                 y3="2.716726"
                                 z3="0.039239"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.375089"
                                 y3="2.820846"
                                 z3="0.391854"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.545172"
                                 y3="4.018706"
                                 z3="0.239836"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.603739"
                                 y3="3.949726"
                                 z3="-0.020493"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.503639"
                                 y3="0.105368"
                                 z3="2.364583"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.986631"
                                 y3="-0.078879"
                                 z3="2.47256"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.707004"
                                 y3="0.370613"
                                 z3="-2.393577"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.311247"
                                 y3="-0.763707"
                                 z3="1.117662"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.270812"
                                 y3="-1.350054"
                                 z3="-0.690323"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.018215"
                                 y3="1.024482"
                                 z3="-0.866295"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.93216"
                                 y3="0.896977"
                                 z3="0.906848"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.872023"
                                 y3="-1.145471"
                                 z3="0.9702"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.232257"
                                 y3="-1.305211"
                                 z3="-1.678605"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.800154"
                                 y3="0.54121"
                                 z3="3.880764"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.099536"
                                 y3="1.442767"
                                 z3="1.268115"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.273614"
                                 y3="3.605716"
                                 z3="4.026441"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.184012"
                                 y3="1.170223"
                                 z3="3.098329"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.987971"
                                 y3="0.841712"
                                 z3="-2.813965"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.026706"
                                 y3="-1.123191"
                                 z3="2.950155"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.247878"
                                 y3="2.89755"
                                 z3="-1.108718"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.354159"
                                 y3="3.465513"
                                 z3="-3.739888"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.062537"
                                 y3="3.137655"
                                 z3="1.247572"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.787659"
                                 y3="-3.878529"
                                 z3="-1.737464"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.198981"
                                 y3="-1.066284"
                                 z3="1.722167"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.922573"
                                 y3="-0.066555"
                                 z3="-3.535447"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.543472"
                                 y3="1.596145"
                                 z3="-1.32435"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.385294"
                                 y3="1.525481"
                                 z3="1.326641"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.982687"
                                 y3="-1.576999"
                                 z3="3.434311"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.564954"
                                 y3="1.415858"
                                 z3="-3.402673"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.558885"
                                 y3="1.48993"
                                 z3="3.365559"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.193413"
                                 y3="-0.002679"
                                 z3="0.121548"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.729633"
                                 y3="-0.277982"
                                 z3="3.499991"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.480582"
                                 y3="3.605391"
                                 z3="1.733842"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.375182"
                                 y3="-3.218482"
                                 z3="1.186156"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.445708"
                                 y3="3.385799"
                                 z3="-1.522623"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.063936"
                                 y3="-3.521784"
                                 z3="3.931575"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.592822"
                                 y3="0.914382"
                                 z3="-3.582582"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.608226"
                                 y3="-1.773531"
                                 z3="1.126933"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.355142"
                                 y3="-4.671022"
                                 z3="-1.877064"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.3997,-2.2743,2.7912;2.8022,-3.0964,.1813;.0629,2.4043,-2.4592;-.0003,2.4588,2.7691;1.3053,-2.5922,-.4857;2.4392,2.7167,.0392;-2.3751,2.8208,.3919;3.5452,4.0187,.2398;-3.6037,3.9497,-.0205;-2.5036,.1054,2.3646;2.9866,-.0789,2.4726;2.707,.3706,-2.3936;1.3112,-.7637,1.1177;-.2708,-1.3501,-.6903;1.0182,1.0245,-.8663;-.9322,.897,.9068;-2.872,-1.1455,.9702;2.2323,-1.3052,-1.6786;3.8002,.5412,3.8808;3.0995,1.4428,1.2681;.2736,3.6057,4.0264;1.184,1.1702,3.0983;-.988,.8417,-2.814;-1.0267,-1.1232,2.9502;-1.2479,2.8975,-1.1087;-.3542,3.4655,-3.7399;1.0625,3.1377,1.2476;.7877,-3.8785,-1.7375;4.199,-1.0663,1.7222;3.9226,-.0666,-3.5354;3.5435,1.5961,-1.3243;-3.3853,1.5255,1.3266;1.9827,-1.577,3.4343;1.565,1.4159,-3.4027;-1.5589,1.4899,3.3656;.1934,-.0027,.1215;-3.7296,-.278,3.5;-1.4806,3.6054,1.7338;.3752,-3.2185,1.1862;1.4457,3.3858,-1.5226;.0639,-3.5218,3.9316;-1.5928,.9144,-3.5826;-3.6082,-1.7735,1.1269;1.3551,-4.671,-1.8771;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">72</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">72</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18746914</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01317915</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00192492</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01317915</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00192492</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02062531</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00467149</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.40278"
                                 y3="-2.274368"
                                 z3="2.790143"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.803772"
                                 y3="-3.085919"
                                 z3="0.172702"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.063645"
                                 y3="2.404816"
                                 z3="-2.458919"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.000897"
                                 y3="2.454844"
                                 z3="2.770729"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.304123"
                                 y3="-2.589107"
                                 z3="-0.492599"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.437997"
                                 y3="2.715504"
                                 z3="0.040364"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.380672"
                                 y3="2.823191"
                                 z3="0.389495"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.54354"
                                 y3="4.018545"
                                 z3="0.236179"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.604726"
                                 y3="3.95764"
                                 z3="-0.021361"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.50363"
                                 y3="0.104177"
                                 z3="2.3667"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.988026"
                                 y3="-0.078951"
                                 z3="2.477109"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.71124"
                                 y3="0.367835"
                                 z3="-2.396331"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.310645"
                                 y3="-0.759706"
                                 z3="1.123272"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.268406"
                                 y3="-1.347665"
                                 z3="-0.683482"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.020421"
                                 y3="1.023458"
                                 z3="-0.864975"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.929201"
                                 y3="0.901671"
                                 z3="0.912711"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.862624"
                                 y3="-1.146405"
                                 z3="0.969383"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.223516"
                                 y3="-1.307922"
                                 z3="-1.692154"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.805111"
                                 y3="0.539676"
                                 z3="3.883645"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.097778"
                                 y3="1.446718"
                                 z3="1.27346"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.265974"
                                 y3="3.608567"
                                 z3="4.022973"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.186134"
                                 y3="1.169495"
                                 z3="3.105716"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.984678"
                                 y3="0.8405"
                                 z3="-2.819186"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.024598"
                                 y3="-1.124179"
                                 z3="2.947653"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.251572"
                                 y3="2.889768"
                                 z3="-1.110624"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.350579"
                                 y3="3.466639"
                                 z3="-3.73965"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.060712"
                                 y3="3.135778"
                                 z3="1.250032"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.770178"
                                 y3="-3.872916"
                                 z3="-1.738646"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.203102"
                                 y3="-1.065613"
                                 z3="1.727409"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.929119"
                                 y3="-0.066838"
                                 z3="-3.536318"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.54188"
                                 y3="1.592346"
                                 z3="-1.320994"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.384718"
                                 y3="1.522064"
                                 z3="1.321846"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.985305"
                                 y3="-1.575018"
                                 z3="3.436973"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.565167"
                                 y3="1.409935"
                                 z3="-3.403866"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.561552"
                                 y3="1.487936"
                                 z3="3.365028"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.195791"
                                 y3="0.000917"
                                 z3="0.127873"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.731212"
                                 y3="-0.282212"
                                 z3="3.499445"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.484048"
                                 y3="3.605225"
                                 z3="1.730663"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.384088"
                                 y3="-3.221307"
                                 z3="1.189871"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.444278"
                                 y3="3.386449"
                                 z3="-1.522217"/>
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                                 id="a41"
                                 x3="0.062011"
                                 y3="-3.524489"
                                 z3="3.92619"/>
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                                 id="a42"
                                 x3="-1.587038"
                                 y3="0.911096"
                                 z3="-3.589791"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.597198"
                                 y3="-1.774891"
                                 z3="1.13353"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.334517"
                                 y3="-4.668583"
                                 z3="-1.874383"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4028,-2.2744,2.7901;2.8038,-3.0859,.1727;.0636,2.4048,-2.4589;-.0009,2.4548,2.7707;1.3041,-2.5891,-.4926;2.438,2.7155,.0404;-2.3807,2.8232,.3895;3.5435,4.0185,.2362;-3.6047,3.9576,-.0214;-2.5036,.1042,2.3667;2.988,-.079,2.4771;2.7112,.3678,-2.3963;1.3106,-.7597,1.1233;-.2684,-1.3477,-.6835;1.0204,1.0235,-.865;-.9292,.9017,.9127;-2.8626,-1.1464,.9694;2.2235,-1.3079,-1.6922;3.8051,.5397,3.8836;3.0978,1.4467,1.2735;.266,3.6086,4.023;1.1861,1.1695,3.1057;-.9847,.8405,-2.8192;-1.0246,-1.1242,2.9477;-1.2516,2.8898,-1.1106;-.3506,3.4666,-3.7397;1.0607,3.1358,1.25;.7702,-3.8729,-1.7386;4.2031,-1.0656,1.7274;3.9291,-.0668,-3.5363;3.5419,1.5923,-1.321;-3.3847,1.5221,1.3218;1.9853,-1.575,3.437;1.5652,1.4099,-3.4039;-1.5616,1.4879,3.365;.1958,.0009,.1279;-3.7312,-.2822,3.4994;-1.484,3.6052,1.7307;.3841,-3.2213,1.1899;1.4443,3.3864,-1.5222;.062,-3.5245,3.9262;-1.587,.9111,-3.5898;-3.5972,-1.7749,1.1335;1.3345,-4.6686,-1.8744;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">73</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">73</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18768008</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01034221</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00161470</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01034221</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00161470</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01430589</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00404372</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.404921"
                                 y3="-2.272213"
                                 z3="2.788313"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.803605"
                                 y3="-3.079871"
                                 z3="0.158396"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.063073"
                                 y3="2.404328"
                                 z3="-2.45733"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="-0.001565"
                                 y3="2.450981"
                                 z3="2.7718"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.298962"
                                 y3="-2.589187"
                                 z3="-0.500334"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.436972"
                                 y3="2.714447"
                                 z3="0.041227"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.385274"
                                 y3="2.824237"
                                 z3="0.387528"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.542868"
                                 y3="4.018082"
                                 z3="0.232051"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.60789"
                                 y3="3.96118"
                                 z3="-0.021784"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.502617"
                                 y3="0.102785"
                                 z3="2.369034"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.991275"
                                 y3="-0.079013"
                                 z3="2.479722"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.714125"
                                 y3="0.365146"
                                 z3="-2.397647"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.312495"
                                 y3="-0.75622"
                                 z3="1.128249"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.267866"
                                 y3="-1.344489"
                                 z3="-0.677661"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.025495"
                                 y3="1.022408"
                                 z3="-0.862191"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.922696"
                                 y3="0.907922"
                                 z3="0.91807"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.855874"
                                 y3="-1.146317"
                                 z3="0.968955"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.214286"
                                 y3="-1.311289"
                                 z3="-1.705367"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.804045"
                                 y3="0.539983"
                                 z3="3.888295"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.095692"
                                 y3="1.448346"
                                 z3="1.276759"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.259706"
                                 y3="3.610275"
                                 z3="4.020234"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.186387"
                                 y3="1.167736"
                                 z3="3.113289"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.980056"
                                 y3="0.83692"
                                 z3="-2.820826"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.020873"
                                 y3="-1.120119"
                                 z3="2.948153"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.25552"
                                 y3="2.88647"
                                 z3="-1.112074"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.34914"
                                 y3="3.467343"
                                 z3="-3.737571"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.05899"
                                 y3="3.133953"
                                 z3="1.251671"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.756868"
                                 y3="-3.873209"
                                 z3="-1.737734"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.209269"
                                 y3="-1.060789"
                                 z3="1.730011"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.933569"
                                 y3="-0.067591"
                                 z3="-3.536658"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.542354"
                                 y3="1.588373"
                                 z3="-1.318285"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.38287"
                                 y3="1.518616"
                                 z3="1.319809"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.98812"
                                 y3="-1.574756"
                                 z3="3.438568"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.565076"
                                 y3="1.405894"
                                 z3="-3.401921"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.563703"
                                 y3="1.487009"
                                 z3="3.367553"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.200818"
                                 y3="0.004488"
                                 z3="0.134447"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.732791"
                                 y3="-0.285044"
                                 z3="3.498472"/>
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                                 id="a38"
                                 x3="-1.488311"
                                 y3="3.606423"
                                 z3="1.727277"/>
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                                 id="a39"
                                 x3="0.386282"
                                 y3="-3.221999"
                                 z3="1.19052"/>
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                                 id="a40"
                                 x3="1.441656"
                                 y3="3.386792"
                                 z3="-1.520927"/>
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                                 x3="0.057793"
                                 y3="-3.522134"
                                 z3="3.922515"/>
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                                 id="a42"
                                 x3="-1.57771"
                                 y3="0.904146"
                                 z3="-3.595379"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.59017"
                                 y3="-1.774636"
                                 z3="1.135753"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.323724"
                                 y3="-4.666708"
                                 z3="-1.877384"/>
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                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4049,-2.2722,2.7883;2.8036,-3.0799,.1584;.0631,2.4043,-2.4573;-.0016,2.451,2.7718;1.299,-2.5892,-.5003;2.437,2.7144,.0412;-2.3853,2.8242,.3875;3.5429,4.0181,.2321;-3.6079,3.9612,-.0218;-2.5026,.1028,2.369;2.9913,-.079,2.4797;2.7141,.3651,-2.3976;1.3125,-.7562,1.1282;-.2679,-1.3445,-.6777;1.0255,1.0224,-.8622;-.9227,.9079,.9181;-2.8559,-1.1463,.969;2.2143,-1.3113,-1.7054;3.804,.54,3.8883;3.0957,1.4483,1.2768;.2597,3.6103,4.0202;1.1864,1.1677,3.1133;-.9801,.8369,-2.8208;-1.0209,-1.1201,2.9482;-1.2555,2.8865,-1.1121;-.3491,3.4673,-3.7376;1.059,3.134,1.2517;.7569,-3.8732,-1.7377;4.2093,-1.0608,1.73;3.9336,-.0676,-3.5367;3.5424,1.5884,-1.3183;-3.3829,1.5186,1.3198;1.9881,-1.5748,3.4386;1.5651,1.4059,-3.4019;-1.5637,1.487,3.3676;.2008,.0045,.1344;-3.7328,-.285,3.4985;-1.4883,3.6064,1.7273;.3863,-3.222,1.1905;1.4417,3.3868,-1.5209;.0578,-3.5221,3.9225;-1.5777,.9041,-3.5954;-3.5902,-1.7746,1.1358;1.3237,-4.6667,-1.8774;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">74</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">74</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18780847</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00693342</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00139751</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00693342</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00139751</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00731249</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00158377</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 y3="-2.271233"
                                 z3="2.789372"/>
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                                 z3="2.771546"/>
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                                 z3="-0.500222"/>
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                                 x3="-2.386583"
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                                 z3="-0.018082"/>
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                                 x3="-2.503063"
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                           <atom elementType="W"
                                 id="a11"
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                                 y3="-0.078456"
                                 z3="2.480338"/>
                           <atom elementType="W"
                                 id="a12"
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                                 y3="0.365717"
                                 z3="-2.398777"/>
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                                 y3="-0.757283"
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                           <atom elementType="O"
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                                 y3="1.022222"
                                 z3="-0.861824"/>
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                                 id="a16"
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                                 y3="0.907763"
                                 z3="0.916995"/>
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                                 y3="-1.144583"
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                                 y3="-1.310784"
                                 z3="-1.706155"/>
                           <atom elementType="O"
                                 id="a19"
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                                 y3="0.539449"
                                 z3="3.889632"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.095838"
                                 y3="1.448135"
                                 z3="1.27669"/>
                           <atom elementType="O"
                                 id="a21"
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                                 y3="3.608857"
                                 z3="4.020223"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.187558"
                                 y3="1.168009"
                                 z3="3.113954"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.980066"
                                 y3="0.835701"
                                 z3="-2.819168"/>
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                                 x3="-1.022846"
                                 y3="-1.121682"
                                 z3="2.940841"/>
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                                 id="a25"
                                 x3="-1.257898"
                                 y3="2.886379"
                                 z3="-1.11191"/>
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                                 id="a26"
                                 x3="-0.349991"
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                                 z3="-3.736462"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.058909"
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                                 z3="1.252106"/>
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                                 id="a28"
                                 x3="0.75791"
                                 y3="-3.873746"
                                 z3="-1.736066"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.20946"
                                 y3="-1.06088"
                                 z3="1.728216"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.93398"
                                 y3="-0.066827"
                                 z3="-3.538559"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.542764"
                                 y3="1.58964"
                                 z3="-1.319555"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.383017"
                                 y3="1.520828"
                                 z3="1.320838"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.988077"
                                 y3="-1.572634"
                                 z3="3.439414"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.564459"
                                 y3="1.406037"
                                 z3="-3.400951"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.562435"
                                 y3="1.485815"
                                 z3="3.36796"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.201129"
                                 y3="0.002874"
                                 z3="0.134284"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.734281"
                                 y3="-0.283712"
                                 z3="3.496204"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.48802"
                                 y3="3.606481"
                                 z3="1.72834"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.389639"
                                 y3="-3.222988"
                                 z3="1.192477"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.439657"
                                 y3="3.386591"
                                 z3="-1.520274"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.057117"
                                 y3="-3.518481"
                                 z3="3.926089"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.575969"
                                 y3="0.901331"
                                 z3="-3.595276"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.594214"
                                 y3="-1.773258"
                                 z3="1.133494"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.325828"
                                 y3="-4.666098"
                                 z3="-1.877777"/>
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                        <bondArray>
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                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4057,-2.2712,2.7894;2.8044,-3.0844,.1589;.0615,2.4041,-2.4565;-.0002,2.4499,2.7715;1.3011,-2.589,-.5002;2.4361,2.7137,.0409;-2.3866,2.8265,.3889;3.5422,4.0172,.2313;-3.6088,3.9646,-.0181;-2.5031,.1027,2.3674;2.9922,-.0785,2.4803;2.7151,.3657,-2.3988;1.3132,-.7573,1.1278;-.2678,-1.3466,-.6776;1.0263,1.0222,-.8618;-.9224,.9078,.917;-2.8603,-1.1446,.9664;2.2155,-1.3108,-1.7062;3.8044,.5394,3.8896;3.0958,1.4481,1.2767;.2612,3.6089,4.0202;1.1876,1.168,3.114;-.9801,.8357,-2.8192;-1.0228,-1.1217,2.9408;-1.2579,2.8864,-1.1119;-.35,3.4677,-3.7365;1.0589,3.1333,1.2521;.7579,-3.8737,-1.7361;4.2095,-1.0609,1.7282;3.934,-.0668,-3.5386;3.5428,1.5896,-1.3196;-3.383,1.5208,1.3208;1.9881,-1.5726,3.4394;1.5645,1.406,-3.401;-1.5624,1.4858,3.368;.2011,.0029,.1343;-3.7343,-.2837,3.4962;-1.488,3.6065,1.7283;.3896,-3.223,1.1925;1.4397,3.3866,-1.5203;.0571,-3.5185,3.9261;-1.576,.9013,-3.5953;-3.5942,-1.7733,1.1335;1.3258,-4.6661,-1.8778;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">75</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">75</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18789541</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00656981</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00124491</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00656981</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00124491</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01815197</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00522441</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.406147"
                                 y3="-2.266998"
                                 z3="2.788296"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.800731"
                                 y3="-3.092298"
                                 z3="0.147045"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.057164"
                                 y3="2.399421"
                                 z3="-2.452533"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.001592"
                                 y3="2.445765"
                                 z3="2.769993"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.297363"
                                 y3="-2.591141"
                                 z3="-0.508673"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.432921"
                                 y3="2.711241"
                                 z3="0.040859"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.391107"
                                 y3="2.833074"
                                 z3="0.387492"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.538864"
                                 y3="4.015869"
                                 z3="0.227986"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.614083"
                                 y3="3.972232"
                                 z3="-0.01587"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.500935"
                                 y3="0.103778"
                                 z3="2.365307"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.996952"
                                 y3="-0.07815"
                                 z3="2.481929"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.721693"
                                 y3="0.366759"
                                 z3="-2.400036"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.315542"
                                 y3="-0.757674"
                                 z3="1.131196"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.269414"
                                 y3="-1.343784"
                                 z3="-0.671168"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.036098"
                                 y3="1.022391"
                                 z3="-0.856176"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.911594"
                                 y3="0.917831"
                                 z3="0.921362"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.861591"
                                 y3="-1.140263"
                                 z3="0.961728"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.214312"
                                 y3="-1.310181"
                                 z3="-1.71515"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.803387"
                                 y3="0.530888"
                                 z3="3.897765"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.093691"
                                 y3="1.445998"
                                 z3="1.276449"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.257944"
                                 y3="3.607886"
                                 z3="4.017503"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.188501"
                                 y3="1.166577"
                                 z3="3.12384"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.978216"
                                 y3="0.82663"
                                 z3="-2.807616"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.023831"
                                 y3="-1.115484"
                                 z3="2.941861"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.264789"
                                 y3="2.887159"
                                 z3="-1.114039"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.352328"
                                 y3="3.463044"
                                 z3="-3.733416"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.057214"
                                 y3="3.13018"
                                 z3="1.254389"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.753413"
                                 y3="-3.881034"
                                 z3="-1.733701"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.210418"
                                 y3="-1.055168"
                                 z3="1.718557"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.94023"
                                 y3="-0.062211"
                                 z3="-3.541761"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.547002"
                                 y3="1.59466"
                                 z3="-1.322136"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.380723"
                                 y3="1.522432"
                                 z3="1.318484"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.990946"
                                 y3="-1.573175"
                                 z3="3.438638"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.563334"
                                 y3="1.402479"
                                 z3="-3.394944"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.561695"
                                 y3="1.486619"
                                 z3="3.373957"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.207693"
                                 y3="0.005208"
                                 z3="0.140656"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.739149"
                                 y3="-0.27828"
                                 z3="3.487495"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.492949"
                                 y3="3.611329"
                                 z3="1.726346"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.392116"
                                 y3="-3.222056"
                                 z3="1.192478"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.430729"
                                 y3="3.386604"
                                 z3="-1.516872"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.048875"
                                 y3="-3.507392"
                                 z3="3.929595"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.568783"
                                 y3="0.883179"
                                 z3="-3.58873"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.586902"
                                 y3="-1.778727"
                                 z3="1.12862"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.326718"
                                 y3="-4.666517"
                                 z3="-1.891408"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">76</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">76</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18803966</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00663836</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00108586</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00663836</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00108586</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00715623</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00213583</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.408204"
                                 y3="-2.267197"
                                 z3="2.789095"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.801721"
                                 y3="-3.090958"
                                 z3="0.140354"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.056027"
                                 y3="2.400514"
                                 z3="-2.45107"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.001889"
                                 y3="2.445416"
                                 z3="2.769711"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.295744"
                                 y3="-2.591115"
                                 z3="-0.510554"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.433156"
                                 y3="2.709092"
                                 z3="0.04137"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.394314"
                                 y3="2.834905"
                                 z3="0.388187"/>
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                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
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                     </molecule>
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               </module>
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                  <module cmlx:templateRef="convergence">
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                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18810838</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
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                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
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                     <list cmlx:templateRef="gradmax">
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                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4105,-2.2679,2.7891;2.8002,-3.0852,.13;.0542,2.4006,-2.4482;.0019,2.4453,2.7687;1.2906,-2.5909,-.5157;2.4333,2.7053,.043;-2.3995,2.8399,.3884;3.5387,4.0109,.2276;-3.6203,3.9829,-.0105;-2.4971,.1032,2.362;2.9999,-.0777,2.4906;2.7225,.3672,-2.4027;1.3203,-.7582,1.1361;-.2694,-1.3399,-.6662;1.0366,1.0259,-.8484;-.905,.9218,.9293;-2.8528,-1.1355,.9519;2.198,-1.3112,-1.7286;3.8099,.5388,3.9017;3.097,1.447,1.2835;.2531,3.6117,4.0134;1.1904,1.1706,3.1307;-.9728,.8229,-2.8053;-1.0234,-1.1204,2.9364;-1.2765,2.8872,-1.1185;-.352,3.4589,-3.7342;1.0578,3.1315,1.2572;.7365,-3.889,-1.7296;4.2154,-1.051,1.725;3.9413,-.0612,-3.5439;3.5467,1.5928,-1.3202;-3.3813,1.5221,1.3125;1.9967,-1.5756,3.4407;1.5655,1.4049,-3.3934;-1.5648,1.4868,3.3732;.2106,.0081,.1476;-3.7417,-.2829,3.4761;-1.4971,3.6116,1.727;.3996,-3.2236,1.1946;1.4285,3.3851,-1.5138;.0565,-3.5077,3.9324;-1.5568,.8741,-3.5917;-3.5718,-1.7818,1.1152;1.3037,-4.6789,-1.887;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">78</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">78</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18819676</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00447663</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00081113</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00447663</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00081113</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00877776</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00233394</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.409982"
                                 y3="-2.270703"
                                 z3="2.788158"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.801609"
                                 y3="-3.082921"
                                 z3="0.126625"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.052475"
                                 y3="2.401886"
                                 z3="-2.44663"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.002046"
                                 y3="2.446086"
                                 z3="2.768063"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.290737"
                                 y3="-2.589952"
                                 z3="-0.516892"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.433503"
                                 y3="2.702639"
                                 z3="0.042406"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.402159"
                                 y3="2.843225"
                                 z3="0.388881"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.538601"
                                 y3="4.008678"
                                 z3="0.226529"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.621714"
                                 y3="3.98807"
                                 z3="-0.008332"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.495076"
                                 y3="0.103673"
                                 z3="2.360834"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.999087"
                                 y3="-0.078177"
                                 z3="2.494558"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.721188"
                                 y3="0.368106"
                                 z3="-2.40496"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.320871"
                                 y3="-0.759828"
                                 z3="1.137385"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.269083"
                                 y3="-1.337659"
                                 z3="-0.665442"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.037177"
                                 y3="1.028051"
                                 z3="-0.845063"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.902927"
                                 y3="0.92323"
                                 z3="0.932306"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.848273"
                                 y3="-1.130998"
                                 z3="0.947121"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.195489"
                                 y3="-1.30901"
                                 z3="-1.72885"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.813114"
                                 y3="0.539238"
                                 z3="3.902931"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.097818"
                                 y3="1.445804"
                                 z3="1.284317"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.252367"
                                 y3="3.61377"
                                 z3="4.011977"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.19043"
                                 y3="1.171243"
                                 z3="3.132407"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.971472"
                                 y3="0.821535"
                                 z3="-2.801325"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.0247"
                                 y3="-1.1237"
                                 z3="2.937103"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.280245"
                                 y3="2.889048"
                                 z3="-1.119585"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.353651"
                                 y3="3.455994"
                                 z3="-3.735979"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.058669"
                                 y3="3.131714"
                                 z3="1.258007"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.735213"
                                 y3="-3.891857"
                                 z3="-1.727002"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.213491"
                                 y3="-1.050588"
                                 z3="1.727482"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.939342"
                                 y3="-0.060799"
                                 z3="-3.546491"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.545699"
                                 y3="1.59387"
                                 z3="-1.322453"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.381028"
                                 y3="1.523139"
                                 z3="1.310448"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.996741"
                                 y3="-1.57853"
                                 z3="3.439982"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.564446"
                                 y3="1.406768"
                                 z3="-3.394048"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.565783"
                                 y3="1.487438"
                                 z3="3.372199"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.211102"
                                 y3="0.008658"
                                 z3="0.14967"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.742497"
                                 y3="-0.285017"
                                 z3="3.471275"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.497713"
                                 y3="3.612236"
                                 z3="1.72774"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.400946"
                                 y3="-3.225679"
                                 z3="1.193205"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.427199"
                                 y3="3.385307"
                                 z3="-1.513427"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.059486"
                                 y3="-3.509623"
                                 z3="3.933485"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.554005"
                                 y3="0.86974"
                                 z3="-3.588835"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.564593"
                                 y3="-1.781052"
                                 z3="1.106437"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.299591"
                                 y3="-4.684354"
                                 z3="-1.880619"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.41,-2.2707,2.7882;2.8016,-3.0829,.1266;.0525,2.4019,-2.4466;.002,2.4461,2.7681;1.2907,-2.59,-.5169;2.4335,2.7026,.0424;-2.4022,2.8432,.3889;3.5386,4.0087,.2265;-3.6217,3.9881,-.0083;-2.4951,.1037,2.3608;2.9991,-.0782,2.4946;2.7212,.3681,-2.405;1.3209,-.7598,1.1374;-.2691,-1.3377,-.6654;1.0372,1.0281,-.8451;-.9029,.9232,.9323;-2.8483,-1.131,.9471;2.1955,-1.309,-1.7288;3.8131,.5392,3.9029;3.0978,1.4458,1.2843;.2524,3.6138,4.012;1.1904,1.1712,3.1324;-.9715,.8215,-2.8013;-1.0247,-1.1237,2.9371;-1.2802,2.889,-1.1196;-.3537,3.456,-3.736;1.0587,3.1317,1.258;.7352,-3.8919,-1.727;4.2135,-1.0506,1.7275;3.9393,-.0608,-3.5465;3.5457,1.5939,-1.3225;-3.381,1.5231,1.3104;1.9967,-1.5785,3.44;1.5644,1.4068,-3.394;-1.5658,1.4874,3.3722;.2111,.0087,.1497;-3.7425,-.285,3.4713;-1.4977,3.6122,1.7277;.4009,-3.2257,1.1932;1.4272,3.3853,-1.5134;.0595,-3.5096,3.9335;-1.554,.8697,-3.5888;-3.5646,-1.7811,1.1064;1.2996,-4.6844,-1.8806;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">79</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">79</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18825661</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00409963</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00075088</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00409963</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00075088</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00886209</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00212074</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.409232"
                                 y3="-2.272147"
                                 z3="2.78673"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.800705"
                                 y3="-3.080249"
                                 z3="0.129029"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.051215"
                                 y3="2.401538"
                                 z3="-2.44471"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.002374"
                                 y3="2.445857"
                                 z3="2.768488"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.290533"
                                 y3="-2.587899"
                                 z3="-0.516335"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.433321"
                                 y3="2.701946"
                                 z3="0.042043"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.403187"
                                 y3="2.846347"
                                 z3="0.389657"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.538073"
                                 y3="4.008404"
                                 z3="0.226655"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.621851"
                                 y3="3.99249"
                                 z3="-0.006497"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.493703"
                                 y3="0.103797"
                                 z3="2.358789"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.99871"
                                 y3="-0.078757"
                                 z3="2.495206"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.72092"
                                 y3="0.369558"
                                 z3="-2.406014"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.319436"
                                 y3="-0.761413"
                                 z3="1.137642"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.268285"
                                 y3="-1.335518"
                                 z3="-0.667065"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.038054"
                                 y3="1.029912"
                                 z3="-0.842373"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.901969"
                                 y3="0.923569"
                                 z3="0.9344"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.84615"
                                 y3="-1.127356"
                                 z3="0.942763"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.199159"
                                 y3="-1.308543"
                                 z3="-1.728698"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.817538"
                                 y3="0.537754"
                                 z3="3.901042"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.09733"
                                 y3="1.444078"
                                 z3="1.283093"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.252654"
                                 y3="3.614282"
                                 z3="4.011691"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.190976"
                                 y3="1.170424"
                                 z3="3.132553"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.972147"
                                 y3="0.820008"
                                 z3="-2.795845"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.026899"
                                 y3="-1.127031"
                                 z3="2.93898"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.282207"
                                 y3="2.89005"
                                 z3="-1.119275"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.354366"
                                 y3="3.450805"
                                 z3="-3.738078"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.059258"
                                 y3="3.131165"
                                 z3="1.258873"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.737053"
                                 y3="-3.892743"
                                 z3="-1.724016"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.211066"
                                 y3="-1.051976"
                                 z3="1.725692"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.938349"
                                 y3="-0.059316"
                                 z3="-3.548302"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.544963"
                                 y3="1.59656"
                                 z3="-1.324309"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.380701"
                                 y3="1.524146"
                                 z3="1.30814"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.996205"
                                 y3="-1.580182"
                                 z3="3.438805"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.562559"
                                 y3="1.406976"
                                 z3="-3.3943"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.566495"
                                 y3="1.487501"
                                 z3="3.370962"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.211159"
                                 y3="0.008862"
                                 z3="0.150488"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.742761"
                                 y3="-0.285983"
                                 z3="3.467138"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.496743"
                                 y3="3.612837"
                                 z3="1.728574"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.398545"
                                 y3="-3.226376"
                                 z3="1.191316"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.426315"
                                 y3="3.386523"
                                 z3="-1.513047"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.062136"
                                 y3="-3.510518"
                                 z3="3.933557"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.55548"
                                 y3="0.86546"
                                 z3="-3.582905"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.561785"
                                 y3="-1.77923"
                                 z3="1.097575"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.30039"
                                 y3="-4.686911"
                                 z3="-1.872509"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4092,-2.2721,2.7867;2.8007,-3.0802,.129;.0512,2.4015,-2.4447;.0024,2.4459,2.7685;1.2905,-2.5879,-.5163;2.4333,2.7019,.042;-2.4032,2.8463,.3897;3.5381,4.0084,.2267;-3.6219,3.9925,-.0065;-2.4937,.1038,2.3588;2.9987,-.0788,2.4952;2.7209,.3696,-2.406;1.3194,-.7614,1.1376;-.2683,-1.3355,-.6671;1.0381,1.0299,-.8424;-.902,.9236,.9344;-2.8462,-1.1274,.9428;2.1992,-1.3085,-1.7287;3.8175,.5378,3.901;3.0973,1.4441,1.2831;.2527,3.6143,4.0117;1.191,1.1704,3.1326;-.9721,.82,-2.7958;-1.0269,-1.127,2.939;-1.2822,2.8901,-1.1193;-.3544,3.4508,-3.7381;1.0593,3.1312,1.2589;.7371,-3.8927,-1.724;4.2111,-1.052,1.7257;3.9383,-.0593,-3.5483;3.545,1.5966,-1.3243;-3.3807,1.5241,1.3081;1.9962,-1.5802,3.4388;1.5626,1.407,-3.3943;-1.5665,1.4875,3.371;.2112,.0089,.1505;-3.7428,-.286,3.4671;-1.4967,3.6128,1.7286;.3985,-3.2264,1.1913;1.4263,3.3865,-1.513;.0621,-3.5105,3.9336;-1.5555,.8655,-3.5829;-3.5618,-1.7792,1.0976;1.3004,-4.6869,-1.8725;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">80</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">80</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18828912</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00373643</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00069507</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00373643</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00069507</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01075600</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00306656</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.407681"
                                 y3="-2.273456"
                                 z3="2.782845"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.801241"
                                 y3="-3.077714"
                                 z3="0.134191"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.04886"
                                 y3="2.400318"
                                 z3="-2.442395"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.003084"
                                 y3="2.444712"
                                 z3="2.769589"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.292831"
                                 y3="-2.58654"
                                 z3="-0.515784"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.43246"
                                 y3="2.701954"
                                 z3="0.040651"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.40355"
                                 y3="2.851097"
                                 z3="0.392187"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.538039"
                                 y3="4.007979"
                                 z3="0.225765"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.621543"
                                 y3="3.998741"
                                 z3="-0.001679"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.492517"
                                 y3="0.104433"
                                 z3="2.356379"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.99782"
                                 y3="-0.079561"
                                 z3="2.495273"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.720001"
                                 y3="0.370955"
                                 z3="-2.407376"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.316983"
                                 y3="-0.764235"
                                 z3="1.136617"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.266763"
                                 y3="-1.33391"
                                 z3="-0.671104"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.039274"
                                 y3="1.031523"
                                 z3="-0.840132"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.900846"
                                 y3="0.923478"
                                 z3="0.936258"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.845545"
                                 y3="-1.122518"
                                 z3="0.937868"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.206216"
                                 y3="-1.305662"
                                 z3="-1.724872"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.819459"
                                 y3="0.536999"
                                 z3="3.899288"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.095075"
                                 y3="1.441283"
                                 z3="1.280512"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.255537"
                                 y3="3.613333"
                                 z3="4.011996"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.191361"
                                 y3="1.168028"
                                 z3="3.131495"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.974457"
                                 y3="0.817663"
                                 z3="-2.788288"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.029695"
                                 y3="-1.130319"
                                 z3="2.93921"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.283877"
                                 y3="2.891812"
                                 z3="-1.11752"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.356734"
                                 y3="3.444338"
                                 z3="-3.739984"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.059596"
                                 y3="3.130136"
                                 z3="1.259102"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.743912"
                                 y3="-3.895652"
                                 z3="-1.719782"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.208247"
                                 y3="-1.054263"
                                 z3="1.724973"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.936222"
                                 y3="-0.058084"
                                 z3="-3.550888"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.544055"
                                 y3="1.599048"
                                 z3="-1.326864"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.379883"
                                 y3="1.526747"
                                 z3="1.306631"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.993851"
                                 y3="-1.581175"
                                 z3="3.43722"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.558476"
                                 y3="1.405606"
                                 z3="-3.394911"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.566721"
                                 y3="1.487229"
                                 z3="3.370026"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.210939"
                                 y3="0.008073"
                                 z3="0.150312"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.7426"
                                 y3="-0.285629"
                                 z3="3.463552"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.493871"
                                 y3="3.614219"
                                 z3="1.731033"/>
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                                 id="a39"
                                 x3="0.393946"
                                 y3="-3.22669"
                                 z3="1.186811"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.425003"
                                 y3="3.388179"
                                 z3="-1.513855"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.063858"
                                 y3="-3.511204"
                                 z3="3.931261"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.558306"
                                 y3="0.860126"
                                 z3="-3.575112"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.56335"
                                 y3="-1.773346"
                                 z3="1.086854"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.309729"
                                 y3="-4.689349"
                                 z3="-1.861753"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4077,-2.2735,2.7828;2.8012,-3.0777,.1342;.0489,2.4003,-2.4424;.0031,2.4447,2.7696;1.2928,-2.5865,-.5158;2.4325,2.702,.0407;-2.4036,2.8511,.3922;3.538,4.008,.2258;-3.6215,3.9987,-.0017;-2.4925,.1044,2.3564;2.9978,-.0796,2.4953;2.72,.371,-2.4074;1.317,-.7642,1.1366;-.2668,-1.3339,-.6711;1.0393,1.0315,-.8401;-.9008,.9235,.9363;-2.8455,-1.1225,.9379;2.2062,-1.3057,-1.7249;3.8195,.537,3.8993;3.0951,1.4413,1.2805;.2555,3.6133,4.012;1.1914,1.168,3.1315;-.9745,.8177,-2.7883;-1.0297,-1.1303,2.9392;-1.2839,2.8918,-1.1175;-.3567,3.4443,-3.74;1.0596,3.1301,1.2591;.7439,-3.8957,-1.7198;4.2082,-1.0543,1.725;3.9362,-.0581,-3.5509;3.5441,1.599,-1.3269;-3.3799,1.5267,1.3066;1.9939,-1.5812,3.4372;1.5585,1.4056,-3.3949;-1.5667,1.4872,3.37;.2109,.0081,.1503;-3.7426,-.2856,3.4636;-1.4939,3.6142,1.731;.3939,-3.2267,1.1868;1.425,3.3882,-1.5139;.0639,-3.5112,3.9313;-1.5583,.8601,-3.5751;-3.5633,-1.7733,1.0869;1.3097,-4.6893,-1.8618;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">81</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">81</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18833264</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00468976</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00072995</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00468976</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00072995</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01118189</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00259825</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 x3="0.407205"
                                 y3="-2.273293"
                                 z3="2.779287"/>
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                                 y3="-3.075832"
                                 z3="0.139185"/>
                           <atom elementType="W"
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                                 z3="-2.440118"/>
                           <atom elementType="W"
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                                 y3="2.442699"
                                 z3="2.769853"/>
                           <atom elementType="Mo"
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                                 y3="-2.585132"
                                 z3="-0.515691"/>
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                                 y3="2.701115"
                                 z3="0.039536"/>
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                                 x3="-2.404784"
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                                 z3="0.394423"/>
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                                 y3="4.006708"
                                 z3="0.224682"/>
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                                 x3="-3.622244"
                                 y3="4.004621"
                                 z3="0.00391"/>
                           <atom elementType="W"
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                                 x3="-2.491893"
                                 y3="0.10492"
                                 z3="2.354531"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.9980"
                                 y3="-0.079712"
                                 z3="2.495141"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.719287"
                                 y3="0.37148"
                                 z3="-2.409383"/>
                           <atom elementType="O"
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                                 x3="1.315687"
                                 y3="-0.766102"
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                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.264836"
                                 y3="-1.333463"
                                 z3="-0.675143"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.040089"
                                 y3="1.032208"
                                 z3="-0.839137"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.899765"
                                 y3="0.922146"
                                 z3="0.937445"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.84596"
                                 y3="-1.118989"
                                 z3="0.933703"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.212351"
                                 y3="-1.305761"
                                 z3="-1.725085"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.819508"
                                 y3="0.537606"
                                 z3="3.898725"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.092995"
                                 y3="1.438931"
                                 z3="1.278305"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.257627"
                                 y3="3.61066"
                                 z3="4.012504"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.191937"
                                 y3="1.165312"
                                 z3="3.12996"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.976095"
                                 y3="0.816485"
                                 z3="-2.783131"/>
                           <atom elementType="O"
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                                 x3="-1.031801"
                                 y3="-1.132473"
                                 z3="2.937941"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.286053"
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                                 z3="-1.115734"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.35935"
                                 y3="3.441066"
                                 z3="-3.739825"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.059673"
                                 y3="3.128568"
                                 z3="1.258834"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.749558"
                                 y3="-3.899025"
                                 z3="-1.715306"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.208736"
                                 y3="-1.055327"
                                 z3="1.726077"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.935052"
                                 y3="-0.055875"
                                 z3="-3.554096"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.543753"
                                 y3="1.598981"
                                 z3="-1.328339"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.379448"
                                 y3="1.52927"
                                 z3="1.30615"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.99187"
                                 y3="-1.579726"
                                 z3="3.436955"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.555065"
                                 y3="1.405008"
                                 z3="-3.394739"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.566686"
                                 y3="1.486075"
                                 z3="3.369753"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.211001"
                                 y3="0.007273"
                                 z3="0.149552"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.742243"
                                 y3="-0.285259"
                                 z3="3.461478"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.491418"
                                 y3="3.615343"
                                 z3="1.732774"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.389708"
                                 y3="-3.225704"
                                 z3="1.183053"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.423542"
                                 y3="3.389137"
                                 z3="-1.514059"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.065463"
                                 y3="-3.511195"
                                 z3="3.928171"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.558682"
                                 y3="0.856704"
                                 z3="-3.571006"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.5672"
                                 y3="-1.766832"
                                 z3="1.079232"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.317615"
                                 y3="-4.69237"
                                 z3="-1.850571"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">82</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">82</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18837989</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00472123</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00076451</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00472123</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00076451</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01515256</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00372774</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.407636"
                                 y3="-2.273066"
                                 z3="2.774833"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.803173"
                                 y3="-3.073109"
                                 z3="0.144326"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.043461"
                                 y3="2.399476"
                                 z3="-2.437006"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.004054"
                                 y3="2.439947"
                                 z3="2.770373"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.298671"
                                 y3="-2.58357"
                                 z3="-0.515928"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.430411"
                                 y3="2.69998"
                                 z3="0.037962"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.406742"
                                 y3="2.861804"
                                 z3="0.39815"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.537584"
                                 y3="4.005009"
                                 z3="0.222568"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.623112"
                                 y3="4.013924"
                                 z3="0.013076"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.491093"
                                 y3="0.105166"
                                 z3="2.351697"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.998642"
                                 y3="-0.07965"
                                 z3="2.495304"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.718186"
                                 y3="0.372303"
                                 z3="-2.412264"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.314546"
                                 y3="-0.768856"
                                 z3="1.134659"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.262538"
                                 y3="-1.333523"
                                 z3="-0.679717"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.04084"
                                 y3="1.032888"
                                 z3="-0.838116"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.898238"
                                 y3="0.919909"
                                 z3="0.939014"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.848312"
                                 y3="-1.113519"
                                 z3="0.927057"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.218566"
                                 y3="-1.305354"
                                 z3="-1.72547"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.81947"
                                 y3="0.538789"
                                 z3="3.898601"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.090669"
                                 y3="1.436234"
                                 z3="1.275705"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.260485"
                                 y3="3.606622"
                                 z3="4.013741"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.192976"
                                 y3="1.161981"
                                 z3="3.127996"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.976572"
                                 y3="0.813654"
                                 z3="-2.777273"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.034985"
                                 y3="-1.13653"
                                 z3="2.933451"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.290084"
                                 y3="2.893571"
                                 z3="-1.113405"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.364233"
                                 y3="3.437585"
                                 z3="-3.738688"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.059842"
                                 y3="3.126764"
                                 z3="1.25861"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.75627"
                                 y3="-3.904565"
                                 z3="-1.708445"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.209802"
                                 y3="-1.056651"
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                           <atom elementType="O"
                                 id="a30"
                                 x3="3.933601"
                                 y3="-0.052456"
                                 z3="-3.558383"/>
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                                 x3="3.543372"
                                 y3="1.598434"
                                 z3="-1.330241"/>
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                                 x3="-3.378955"
                                 y3="1.533474"
                                 z3="1.306167"/>
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                                 id="a33"
                                 x3="1.989434"
                                 y3="-1.576598"
                                 z3="3.437547"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.550724"
                                 y3="1.404678"
                                 z3="-3.394426"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.566284"
                                 y3="1.484088"
                                 z3="3.369755"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.211109"
                                 y3="0.005975"
                                 z3="0.148534"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.741807"
                                 y3="-0.284843"
                                 z3="3.458404"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.487764"
                                 y3="3.616861"
                                 z3="1.735557"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.386727"
                                 y3="-3.225175"
                                 z3="1.178917"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.42089"
                                 y3="3.390224"
                                 z3="-1.514345"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.068538"
                                 y3="-3.511154"
                                 z3="3.924406"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.556062"
                                 y3="0.850216"
                                 z3="-3.567627"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.57641"
                                 y3="-1.754813"
                                 z3="1.067598"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.327015"
                                 y3="-4.697426"
                                 z3="-1.835419"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">83</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">83</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18843120</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00469637</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00083419</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00469637</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00083419</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00785292</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00183192</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.409344"
                                 y3="-2.271643"
                                 z3="2.773777"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.804848"
                                 y3="-3.072466"
                                 z3="0.145048"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.042811"
                                 y3="2.40029"
                                 z3="-2.437054"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.003665"
                                 y3="2.43841"
                                 z3="2.769553"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.300796"
                                 y3="-2.583744"
                                 z3="-0.516808"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.430165"
                                 y3="2.698853"
                                 z3="0.037503"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.407808"
                                 y3="2.863509"
                                 z3="0.398734"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.538311"
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                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
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                  </module>
               </module>
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                        <scalar dataType="xsd:integer" dictRef="a:nstep">84</scalar>
                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
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                     </list>
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                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
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                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4113,-2.2706,2.7733;2.8074,-3.0707,.1454;.0419,2.4017,-2.4376;.0032,2.4369,2.7685;1.3035,-2.5838,-.5181;2.43,2.6968,.0372;-2.4091,2.8661,.3989;3.5386,4.0006,.2202;-3.625,4.0201,.0185;-2.4922,.1043,2.3505;3.0011,-.0782,2.4975;2.718,.3707,-2.4162;1.3174,-.7698,1.1348;-.26,-1.3366,-.6808;1.0395,1.0302,-.8427;-.8972,.9154,.9386;-2.8539,-1.1155,.9257;2.2176,-1.3085,-1.729;3.8121,.5462,3.9041;3.0929,1.4353,1.2762;.2598,3.6004,4.0148;1.1929,1.1601,3.125;-.9789,.8171,-2.7816;-1.0353,-1.137,2.9273;-1.2933,2.8921,-1.1131;-.368,3.4465,-3.7332;1.0606,3.1251,1.2574;.759,-3.9127,-1.7035;4.2179,-1.0567,1.7404;3.9341,-.0475,-3.5638;3.5444,1.5919,-1.3309;-3.3786,1.5363,1.308;1.989,-1.5697,3.4421;1.5501,1.4065,-3.3941;-1.5655,1.4821,3.3719;.2118,.005,.1466;-3.7407,-.2848,3.4599;-1.4866,3.6176,1.7358;.3909,-3.2234,1.1784;1.4195,3.3881,-1.514;.0704,-3.5133,3.918;-1.5546,.8556,-3.5748;-3.5914,-1.7448,1.0719;1.3287,-4.7066,-1.8279;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">85</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">85</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18854650</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00270868</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00053634</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00270868</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00053634</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00574137</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00144263</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.411673"
                                 y3="-2.270364"
                                 z3="2.773087"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.809371"
                                 y3="-3.068802"
                                 z3="0.144786"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.04091"
                                 y3="2.402688"
                                 z3="-2.437946"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.002862"
                                 y3="2.436074"
                                 z3="2.767974"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.305075"
                                 y3="-2.583097"
                                 z3="-0.518875"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.429996"
                                 y3="2.695228"
                                 z3="0.037273"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.40998"
                                 y3="2.869168"
                                 z3="0.398933"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.538361"
                                 y3="3.999321"
                                 z3="0.219131"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.624579"
                                 y3="4.024904"
                                 z3="0.019614"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.492249"
                                 y3="0.103975"
                                 z3="2.349301"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="3.001666"
                                 y3="-0.078333"
                                 z3="2.499015"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.717548"
                                 y3="0.371191"
                                 z3="-2.418154"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.318414"
                                 y3="-0.771036"
                                 z3="1.134991"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.259135"
                                 y3="-1.337316"
                                 z3="-0.680818"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.039153"
                                 y3="1.029442"
                                 z3="-0.843269"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.896083"
                                 y3="0.913995"
                                 z3="0.939583"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.854647"
                                 y3="-1.114808"
                                 z3="0.923709"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.217519"
                                 y3="-1.308696"
                                 z3="-1.729943"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.8115"
                                 y3="0.548192"
                                 z3="3.905338"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.094392"
                                 y3="1.4340"
                                 z3="1.275545"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.259073"
                                 y3="3.598764"
                                 z3="4.015268"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.192393"
                                 y3="1.158958"
                                 z3="3.124299"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.979543"
                                 y3="0.817709"
                                 z3="-2.781821"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.036646"
                                 y3="-1.138246"
                                 z3="2.926459"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.295034"
                                 y3="2.891825"
                                 z3="-1.112991"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.370071"
                                 y3="3.4491"
                                 z3="-3.731812"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.061508"
                                 y3="3.124473"
                                 z3="1.257805"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.761206"
                                 y3="-3.916193"
                                 z3="-1.700479"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.219287"
                                 y3="-1.057844"
                                 z3="1.744106"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.933304"
                                 y3="-0.045649"
                                 z3="-3.566544"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.54397"
                                 y3="1.591656"
                                 z3="-1.33256"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.377803"
                                 y3="1.537746"
                                 z3="1.307464"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.989126"
                                 y3="-1.569197"
                                 z3="3.442753"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.549375"
                                 y3="1.407864"
                                 z3="-3.39481"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.565582"
                                 y3="1.481656"
                                 z3="3.371962"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.212533"
                                 y3="0.004368"
                                 z3="0.146636"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.741245"
                                 y3="-0.285583"
                                 z3="3.458021"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.486026"
                                 y3="3.618126"
                                 z3="1.736135"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.393261"
                                 y3="-3.223618"
                                 z3="1.178715"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.418099"
                                 y3="3.387245"
                                 z3="-1.513252"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.070615"
                                 y3="-3.514135"
                                 z3="3.916549"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.555522"
                                 y3="0.856712"
                                 z3="-3.574751"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.594188"
                                 y3="-1.741454"
                                 z3="1.071293"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.329643"
                                 y3="-4.711307"
                                 z3="-1.822121"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4117,-2.2704,2.7731;2.8094,-3.0688,.1448;.0409,2.4027,-2.4379;.0029,2.4361,2.768;1.3051,-2.5831,-.5189;2.43,2.6952,.0373;-2.41,2.8692,.3989;3.5384,3.9993,.2191;-3.6246,4.0249,.0196;-2.4922,.104,2.3493;3.0017,-.0783,2.499;2.7175,.3712,-2.4182;1.3184,-.771,1.135;-.2591,-1.3373,-.6808;1.0392,1.0294,-.8433;-.8961,.914,.9396;-2.8546,-1.1148,.9237;2.2175,-1.3087,-1.7299;3.8115,.5482,3.9053;3.0944,1.434,1.2755;.2591,3.5988,4.0153;1.1924,1.159,3.1243;-.9795,.8177,-2.7818;-1.0366,-1.1382,2.9265;-1.295,2.8918,-1.113;-.3701,3.4491,-3.7318;1.0615,3.1245,1.2578;.7612,-3.9162,-1.7005;4.2193,-1.0578,1.7441;3.9333,-.0456,-3.5665;3.544,1.5917,-1.3326;-3.3778,1.5377,1.3075;1.9891,-1.5692,3.4428;1.5494,1.4079,-3.3948;-1.5656,1.4817,3.372;.2125,.0044,.1466;-3.7412,-.2856,3.458;-1.486,3.6181,1.7361;.3933,-3.2236,1.1787;1.4181,3.3872,-1.5133;.0706,-3.5141,3.9165;-1.5555,.8567,-3.5748;-3.5942,-1.7415,1.0713;1.3296,-4.7113,-1.8221;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">86</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">86</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18858788</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00231140</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00046295</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00231140</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00046295</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01247800</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00304039</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.411188"
                                 y3="-2.270223"
                                 z3="2.773399"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.8130"
                                 y3="-3.063899"
                                 z3="0.148309"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.039058"
                                 y3="2.404454"
                                 z3="-2.439175"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.002487"
                                 y3="2.434308"
                                 z3="2.767927"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.308967"
                                 y3="-2.58232"
                                 z3="-0.51888"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.429965"
                                 y3="2.693223"
                                 z3="0.037513"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.410229"
                                 y3="2.875373"
                                 z3="0.399429"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.537651"
                                 y3="3.998152"
                                 z3="0.217557"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.622167"
                                 y3="4.034308"
                                 z3="0.021347"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.492721"
                                 y3="0.103412"
                                 z3="2.346122"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="3.001783"
                                 y3="-0.079045"
                                 z3="2.500322"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.715574"
                                 y3="0.372571"
                                 z3="-2.420926"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.31924"
                                 y3="-0.773712"
                                 z3="1.134815"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.257578"
                                 y3="-1.338851"
                                 z3="-0.68064"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.038339"
                                 y3="1.027926"
                                 z3="-0.843851"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.89396"
                                 y3="0.912051"
                                 z3="0.941635"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.856327"
                                 y3="-1.112726"
                                 z3="0.918957"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.218895"
                                 y3="-1.309088"
                                 z3="-1.731026"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.81171"
                                 y3="0.550212"
                                 z3="3.905263"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.096956"
                                 y3="1.430525"
                                 z3="1.272436"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.259019"
                                 y3="3.594997"
                                 z3="4.01716"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.191188"
                                 y3="1.155888"
                                 z3="3.12226"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.982355"
                                 y3="0.820013"
                                 z3="-2.782699"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.039883"
                                 y3="-1.140762"
                                 z3="2.925302"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.297705"
                                 y3="2.893046"
                                 z3="-1.112807"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.373091"
                                 y3="3.453373"
                                 z3="-3.730453"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.063575"
                                 y3="3.123475"
                                 z3="1.259144"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.769858"
                                 y3="-3.923354"
                                 z3="-1.693972"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.218481"
                                 y3="-1.061124"
                                 z3="1.748304"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.929152"
                                 y3="-0.044196"
                                 z3="-3.571457"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.5425"
                                 y3="1.593412"
                                 z3="-1.336885"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.375747"
                                 y3="1.540876"
                                 z3="1.305758"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.989218"
                                 y3="-1.569963"
                                 z3="3.443554"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.546868"
                                 y3="1.410208"
                                 z3="-3.396513"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.566208"
                                 y3="1.480981"
                                 z3="3.371332"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.21353"
                                 y3="0.002897"
                                 z3="0.147039"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.742638"
                                 y3="-0.286945"
                                 z3="3.453692"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.48395"
                                 y3="3.619459"
                                 z3="1.73789"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.397469"
                                 y3="-3.22478"
                                 z3="1.180258"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.415497"
                                 y3="3.385964"
                                 z3="-1.512072"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.069549"
                                 y3="-3.515601"
                                 z3="3.915076"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.561836"
                                 y3="0.86114"
                                 z3="-3.572977"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.597854"
                                 y3="-1.736835"
                                 z3="1.067773"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.337034"
                                 y3="-4.720121"
                                 z3="-1.809643"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4112,-2.2702,2.7734;2.813,-3.0639,.1483;.0391,2.4045,-2.4392;.0025,2.4343,2.7679;1.309,-2.5823,-.5189;2.43,2.6932,.0375;-2.4102,2.8754,.3994;3.5377,3.9982,.2176;-3.6222,4.0343,.0213;-2.4927,.1034,2.3461;3.0018,-.079,2.5003;2.7156,.3726,-2.4209;1.3192,-.7737,1.1348;-.2576,-1.3389,-.6806;1.0383,1.0279,-.8439;-.894,.9121,.9416;-2.8563,-1.1127,.919;2.2189,-1.3091,-1.731;3.8117,.5502,3.9053;3.097,1.4305,1.2724;.259,3.595,4.0172;1.1912,1.1559,3.1223;-.9824,.82,-2.7827;-1.0399,-1.1408,2.9253;-1.2977,2.893,-1.1128;-.3731,3.4534,-3.7305;1.0636,3.1235,1.2591;.7699,-3.9234,-1.694;4.2185,-1.0611,1.7483;3.9292,-.0442,-3.5715;3.5425,1.5934,-1.3369;-3.3757,1.5409,1.3058;1.9892,-1.57,3.4436;1.5469,1.4102,-3.3965;-1.5662,1.481,3.3713;.2135,.0029,.147;-3.7426,-.2869,3.4537;-1.484,3.6195,1.7379;.3975,-3.2248,1.1803;1.4155,3.386,-1.5121;.0695,-3.5156,3.9151;-1.5618,.8611,-3.573;-3.5979,-1.7368,1.0678;1.337,-4.7201,-1.8096;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">87</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">87</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18865455</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00150436</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00039938</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00150436</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00039938</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00970405</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00227190</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.40987"
                                 y3="-2.269903"
                                 z3="2.774493"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.816563"
                                 y3="-3.062766"
                                 z3="0.148194"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.0384"
                                 y3="2.405413"
                                 z3="-2.440437"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.002228"
                                 y3="2.433152"
                                 z3="2.768544"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.31179"
                                 y3="-2.581612"
                                 z3="-0.51764"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.430189"
                                 y3="2.693095"
                                 z3="0.038162"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.409668"
                                 y3="2.878667"
                                 z3="0.399408"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.537391"
                                 y3="3.998513"
                                 z3="0.217666"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.620102"
                                 y3="4.039305"
                                 z3="0.021627"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.493555"
                                 y3="0.103391"
                                 z3="2.343545"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="3.001773"
                                 y3="-0.080267"
                                 z3="2.500411"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.713916"
                                 y3="0.373871"
                                 z3="-2.421914"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.319847"
                                 y3="-0.775414"
                                 z3="1.134099"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.256992"
                                 y3="-1.340413"
                                 z3="-0.68097"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.038047"
                                 y3="1.026775"
                                 z3="-0.844217"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.89322"
                                 y3="0.910682"
                                 z3="0.941875"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.857764"
                                 y3="-1.111781"
                                 z3="0.91609"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.221709"
                                 y3="-1.30779"
                                 z3="-1.729319"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.812918"
                                 y3="0.550875"
                                 z3="3.903774"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.098062"
                                 y3="1.427826"
                                 z3="1.269534"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.259956"
                                 y3="3.592414"
                                 z3="4.01889"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.190309"
                                 y3="1.153151"
                                 z3="3.120875"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.985036"
                                 y3="0.822177"
                                 z3="-2.783322"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.041947"
                                 y3="-1.141079"
                                 z3="2.924659"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.297843"
                                 y3="2.894261"
                                 z3="-1.112173"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.373981"
                                 y3="3.455798"
                                 z3="-3.730384"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.064881"
                                 y3="3.123017"
                                 z3="1.260167"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.776114"
                                 y3="-3.926879"
                                 z3="-1.688893"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.217353"
                                 y3="-1.064516"
                                 z3="1.749455"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.924992"
                                 y3="-0.045142"
                                 z3="-3.574292"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.541371"
                                 y3="1.596034"
                                 z3="-1.340043"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.374718"
                                 y3="1.542328"
                                 z3="1.303339"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.989171"
                                 y3="-1.571561"
                                 z3="3.443752"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.544617"
                                 y3="1.411248"
                                 z3="-3.397939"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.567071"
                                 y3="1.480508"
                                 z3="3.369798"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.213973"
                                 y3="0.001372"
                                 z3="0.146776"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.744113"
                                 y3="-0.286753"
                                 z3="3.450571"/>
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                                 id="a38"
                                 x3="-1.482221"
                                 y3="3.619837"
                                 z3="1.739063"/>
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                                 x3="0.400265"
                                 y3="-3.225696"
                                 z3="1.18241"/>
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                                 x3="1.414242"
                                 y3="3.385633"
                                 z3="-1.511502"/>
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                                 x3="0.066841"
                                 y3="-3.515392"
                                 z3="3.915515"/>
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                                 id="a42"
                                 x3="-1.570518"
                                 y3="0.866673"
                                 z3="-3.568997"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.598694"
                                 y3="-1.736661"
                                 z3="1.064889"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.344156"
                                 y3="-4.72369"
                                 z3="-1.799939"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4099,-2.2699,2.7745;2.8166,-3.0628,.1482;.0384,2.4054,-2.4404;.0022,2.4332,2.7685;1.3118,-2.5816,-.5176;2.4302,2.6931,.0382;-2.4097,2.8787,.3994;3.5374,3.9985,.2177;-3.6201,4.0393,.0216;-2.4936,.1034,2.3435;3.0018,-.0803,2.5004;2.7139,.3739,-2.4219;1.3198,-.7754,1.1341;-.257,-1.3404,-.681;1.038,1.0268,-.8442;-.8932,.9107,.9419;-2.8578,-1.1118,.9161;2.2217,-1.3078,-1.7293;3.8129,.5509,3.9038;3.0981,1.4278,1.2695;.26,3.5924,4.0189;1.1903,1.1532,3.1209;-.985,.8222,-2.7833;-1.0419,-1.1411,2.9247;-1.2978,2.8943,-1.1122;-.374,3.4558,-3.7304;1.0649,3.123,1.2602;.7761,-3.9269,-1.6889;4.2174,-1.0645,1.7495;3.925,-.0451,-3.5743;3.5414,1.596,-1.34;-3.3747,1.5423,1.3033;1.9892,-1.5716,3.4438;1.5446,1.4112,-3.3979;-1.5671,1.4805,3.3698;.214,.0014,.1468;-3.7441,-.2868,3.4506;-1.4822,3.6198,1.7391;.4003,-3.2257,1.1824;1.4142,3.3856,-1.5115;.0668,-3.5154,3.9155;-1.5705,.8667,-3.569;-3.5987,-1.7367,1.0649;1.3442,-4.7237,-1.7999;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">88</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">88</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18868542</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00105004</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00032886</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00105004</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00032886</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00688111</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00170575</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
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                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 y3="-2.269848"
                                 z3="2.774948"/>
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                                 z3="2.769098"/>
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                                 y3="-2.581539"
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                                 id="a11"
                                 x3="3.001792"
                                 y3="-0.081166"
                                 z3="2.500133"/>
                           <atom elementType="W"
                                 id="a12"
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                                 y3="0.374286"
                                 z3="-2.422524"/>
                           <atom elementType="O"
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                                 y3="-0.776348"
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                           <atom elementType="O"
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                                 y3="1.025786"
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                           <atom elementType="O"
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                                 x3="-0.892734"
                                 y3="0.910066"
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                           <atom elementType="O"
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                                 y3="-1.111079"
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                           <atom elementType="O"
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                                 y3="-1.307582"
                                 z3="-1.729425"/>
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                                 y3="0.551757"
                                 z3="3.90299"/>
                           <atom elementType="O"
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                                 x3="3.098336"
                                 y3="1.425935"
                                 z3="1.267457"/>
                           <atom elementType="O"
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                                 x3="0.261539"
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                                 z3="4.019633"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.189473"
                                 y3="1.150886"
                                 z3="3.120024"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.987805"
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                                 x3="-1.042612"
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                                 z3="2.923548"/>
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                                 x3="-1.297617"
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                                 id="a26"
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                                 z3="-3.730266"/>
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                                 x3="1.065759"
                                 y3="3.122502"
                                 z3="1.260742"/>
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                                 x3="0.781668"
                                 y3="-3.929588"
                                 z3="-1.685934"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.217949"
                                 y3="-1.066083"
                                 z3="1.75089"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.921086"
                                 y3="-0.046684"
                                 z3="-3.576434"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.540489"
                                 y3="1.597195"
                                 z3="-1.342288"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.374419"
                                 y3="1.54291"
                                 z3="1.301706"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.988944"
                                 y3="-1.572791"
                                 z3="3.443539"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.542391"
                                 y3="1.411726"
                                 z3="-3.398639"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.567824"
                                 y3="1.480418"
                                 z3="3.36884"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.214421"
                                 y3="0.000379"
                                 z3="0.146619"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.744581"
                                 y3="-0.285762"
                                 z3="3.449445"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.480919"
                                 y3="3.619772"
                                 z3="1.739481"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.401146"
                                 y3="-3.2266"
                                 z3="1.183476"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.413885"
                                 y3="3.385973"
                                 z3="-1.511111"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.064363"
                                 y3="-3.515119"
                                 z3="3.915746"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.577277"
                                 y3="0.871904"
                                 z3="-3.566709"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.599058"
                                 y3="-1.737227"
                                 z3="1.062521"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.351037"
                                 y3="-4.725922"
                                 z3="-1.793738"/>
                        </atomArray>
                        <bondArray>
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                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4088,-2.2698,2.7749;2.818,-3.0603,.1511;.0382,2.4063,-2.4411;.0021,2.4321,2.7691;1.3135,-2.5815,-.5168;2.4306,2.6932,.0386;-2.4094,2.8801,.3994;3.5385,3.998,.2186;-3.6194,4.0413,.0224;-2.494,.1036,2.3421;3.0018,-.0812,2.5001;2.7121,.3743,-2.4225;1.3206,-.7763,1.1332;-.2559,-1.3419,-.6812;1.0381,1.0258,-.8448;-.8927,.9101,.9416;-2.8591,-1.1111,.9146;2.2228,-1.3076,-1.7294;3.8123,.5518,3.903;3.0983,1.4259,1.2675;.2615,3.5907,4.0196;1.1895,1.1509,3.12;-.9878,.8247,-2.7842;-1.0426,-1.1403,2.9235;-1.2976,2.895,-1.1117;-.3738,3.4578,-3.7303;1.0658,3.1225,1.2607;.7817,-3.9296,-1.6859;4.2179,-1.0661,1.7509;3.9211,-.0467,-3.5764;3.5405,1.5972,-1.3423;-3.3744,1.5429,1.3017;1.9889,-1.5728,3.4435;1.5424,1.4117,-3.3986;-1.5678,1.4804,3.3688;.2144,.0004,.1466;-3.7446,-.2858,3.4494;-1.4809,3.6198,1.7395;.4011,-3.2266,1.1835;1.4139,3.386,-1.5111;.0644,-3.5151,3.9157;-1.5773,.8719,-3.5667;-3.5991,-1.7372,1.0625;1.351,-4.7259,-1.7937;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">89</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">89</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18870948</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00112434</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00029994</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00112434</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00029994</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00700075</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00169921</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.408227"
                                 y3="-2.269921"
                                 z3="2.77572"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.82123"
                                 y3="-3.056579"
                                 z3="0.150686"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.038076"
                                 y3="2.407094"
                                 z3="-2.441679"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.0021"
                                 y3="2.43117"
                                 z3="2.769592"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.315238"
                                 y3="-2.58154"
                                 z3="-0.516013"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.431213"
                                 y3="2.693403"
                                 z3="0.039425"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.409427"
                                 y3="2.881253"
                                 z3="0.399284"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.539889"
                                 y3="3.997393"
                                 z3="0.220114"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.61917"
                                 y3="4.043431"
                                 z3="0.023913"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.494143"
                                 y3="0.10397"
                                 z3="2.340492"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="3.001835"
                                 y3="-0.082097"
                                 z3="2.500076"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.710253"
                                 y3="0.374662"
                                 z3="-2.422967"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.321626"
                                 y3="-0.776923"
                                 z3="1.132216"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.25581"
                                 y3="-1.34373"
                                 z3="-0.680625"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.038075"
                                 y3="1.024547"
                                 z3="-0.845807"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.892108"
                                 y3="0.909602"
                                 z3="0.941053"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.860105"
                                 y3="-1.110191"
                                 z3="0.912778"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.222266"
                                 y3="-1.307448"
                                 z3="-1.730621"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.811624"
                                 y3="0.5522"
                                 z3="3.902716"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.098454"
                                 y3="1.4242"
                                 z3="1.265879"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.262897"
                                 y3="3.589152"
                                 z3="4.020323"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.188716"
                                 y3="1.148856"
                                 z3="3.119633"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.990268"
                                 y3="0.827105"
                                 z3="-2.785672"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.042873"
                                 y3="-1.139388"
                                 z3="2.921747"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.297811"
                                 y3="2.895335"
                                 z3="-1.111587"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.37344"
                                 y3="3.460119"
                                 z3="-3.729708"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.066599"
                                 y3="3.122031"
                                 z3="1.261307"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.785293"
                                 y3="-3.932818"
                                 z3="-1.68198"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.218864"
                                 y3="-1.067329"
                                 z3="1.752543"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.917627"
                                 y3="-0.047773"
                                 z3="-3.578215"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.539852"
                                 y3="1.597884"
                                 z3="-1.34397"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.374458"
                                 y3="1.543276"
                                 z3="1.299532"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.988784"
                                 y3="-1.573688"
                                 z3="3.443825"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.540347"
                                 y3="1.412156"
                                 z3="-3.399281"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.568796"
                                 y3="1.480539"
                                 z3="3.367752"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.21465"
                                 y3="-0.000525"
                                 z3="0.146247"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.744702"
                                 y3="-0.284607"
                                 z3="3.448169"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.479579"
                                 y3="3.619376"
                                 z3="1.739415"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.403426"
                                 y3="-3.227977"
                                 z3="1.185272"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.413646"
                                 y3="3.38624"
                                 z3="-1.510414"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.062047"
                                 y3="-3.514601"
                                 z3="3.916535"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.583971"
                                 y3="0.877451"
                                 z3="-3.564735"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.59884"
                                 y3="-1.738072"
                                 z3="1.059368"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.356146"
                                 y3="-4.728537"
                                 z3="-1.786737"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4082,-2.2699,2.7757;2.8212,-3.0566,.1507;.0381,2.4071,-2.4417;.0021,2.4312,2.7696;1.3152,-2.5815,-.516;2.4312,2.6934,.0394;-2.4094,2.8813,.3993;3.5399,3.9974,.2201;-3.6192,4.0434,.0239;-2.4941,.104,2.3405;3.0018,-.0821,2.5001;2.7103,.3747,-2.423;1.3216,-.7769,1.1322;-.2558,-1.3437,-.6806;1.0381,1.0245,-.8458;-.8921,.9096,.9411;-2.8601,-1.1102,.9128;2.2223,-1.3074,-1.7306;3.8116,.5522,3.9027;3.0985,1.4242,1.2659;.2629,3.5892,4.0203;1.1887,1.1489,3.1196;-.9903,.8271,-2.7857;-1.0429,-1.1394,2.9217;-1.2978,2.8953,-1.1116;-.3734,3.4601,-3.7297;1.0666,3.122,1.2613;.7853,-3.9328,-1.682;4.2189,-1.0673,1.7525;3.9176,-.0478,-3.5782;3.5399,1.5979,-1.344;-3.3745,1.5433,1.2995;1.9888,-1.5737,3.4438;1.5403,1.4122,-3.3993;-1.5688,1.4805,3.3678;.2147,-.0005,.1462;-3.7447,-.2846,3.4482;-1.4796,3.6194,1.7394;.4034,-3.228,1.1853;1.4136,3.3862,-1.5104;.062,-3.5146,3.9165;-1.584,.8775,-3.5647;-3.5988,-1.7381,1.0594;1.3561,-4.7285,-1.7867;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">90</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">90</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18873151</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00167266</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00031213</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00167266</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00031213</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00603019</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00119609</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.408012"
                                 y3="-2.27054"
                                 z3="2.776212"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.822781"
                                 y3="-3.056222"
                                 z3="0.152649"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.038023"
                                 y3="2.408091"
                                 z3="-2.44191"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.002314"
                                 y3="2.430693"
                                 z3="2.769632"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.317323"
                                 y3="-2.580969"
                                 z3="-0.515199"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.431713"
                                 y3="2.693392"
                                 z3="0.039623"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.409736"
                                 y3="2.881598"
                                 z3="0.39916"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.541024"
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                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
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                  </module>
                  <module cmlx:templateRef="coordinates">
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                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4083,-2.2716,2.7764;2.8241,-3.0541,.1536;.038,2.4089,-2.4416;.0026,2.4305,2.7692;1.3185,-2.5803,-.5149;2.4325,2.6931,.0397;-2.4105,2.8818,.3989;3.5426,3.9953,.2229;-3.6207,4.0451,.0285;-2.4931,.1041,2.3378;3.0014,-.083,2.4998;2.708,.3755,-2.424;1.3236,-.7771,1.1294;-.2548,-1.3455,-.681;1.0387,1.0235,-.8485;-.8921,.909,.938;-2.8605,-1.1088,.9094;2.2218,-1.3082,-1.7334;3.8085,.5521,3.9037;3.0988,1.4223,1.2646;.2644,3.5872,4.0209;1.1881,1.1472,3.1186;-.9926,.83,-2.7852;-1.0421,-1.139,2.9173;-1.2988,2.8977,-1.1121;-.374,3.4632,-3.7285;1.0676,3.1212,1.2614;.7868,-3.9362,-1.6758;4.2207,-1.0678,1.7554;3.9141,-.0454,-3.5811;3.5402,1.598,-1.3462;-3.3754,1.5434,1.2971;1.9876,-1.5732,3.4445;1.5375,1.4136,-3.3995;-1.5691,1.4806,3.3662;.2145,-.0008,.1443;-3.7433,-.2843,3.446;-1.4779,3.6181,1.7383;.4071,-3.2303,1.1872;1.4135,3.3873,-1.5089;.0606,-3.5138,3.9194;-1.5906,.883,-3.5608;-3.5971,-1.7396,1.0533;1.3557,-4.7341,-1.7746;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">92</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">92</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18877181</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00108956</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00025149</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00108956</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00025149</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00690976</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00129181</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="0.408524"
                                 y3="-2.272475"
                                 z3="2.776215"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.825362"
                                 y3="-3.05248"
                                 z3="0.154553"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.037476"
                                 y3="2.409747"
                                 z3="-2.441144"/>
                           <atom elementType="W"
                                 id="a4"
                                 x3="0.002918"
                                 y3="2.430118"
                                 z3="2.768896"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.319796"
                                 y3="-2.579561"
                                 z3="-0.514785"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.432954"
                                 y3="2.692377"
                                 z3="0.039615"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-2.411248"
                                 y3="2.883089"
                                 z3="0.398959"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.543652"
                                 y3="3.994012"
                                 z3="0.223423"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-3.621394"
                                 y3="4.047263"
                                 z3="0.03105"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="-2.492211"
                                 y3="0.104131"
                                 z3="2.33611"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="3.001297"
                                 y3="-0.083432"
                                 z3="2.50015"/>
                           <atom elementType="W"
                                 id="a12"
                                 x3="2.707032"
                                 y3="0.375963"
                                 z3="-2.424929"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="1.324621"
                                 y3="-0.77739"
                                 z3="1.128056"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-0.254189"
                                 y3="-1.345838"
                                 z3="-0.681231"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.039121"
                                 y3="1.023176"
                                 z3="-0.849711"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.891595"
                                 y3="0.908982"
                                 z3="0.937263"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.859714"
                                 y3="-1.107761"
                                 z3="0.906975"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="2.221162"
                                 y3="-1.308612"
                                 z3="-1.735361"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="3.806597"
                                 y3="0.552619"
                                 z3="3.904618"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="3.099103"
                                 y3="1.421243"
                                 z3="1.264265"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="0.264648"
                                 y3="3.586305"
                                 z3="4.021065"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.187931"
                                 y3="1.146585"
                                 z3="3.118169"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-0.993483"
                                 y3="0.830698"
                                 z3="-2.783753"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.041826"
                                 y3="-1.139438"
                                 z3="2.915213"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-1.299916"
                                 y3="2.899114"
                                 z3="-1.112356"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.374868"
                                 y3="3.464193"
                                 z3="-3.727749"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="1.068184"
                                 y3="3.120581"
                                 z3="1.261428"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.787015"
                                 y3="-3.938665"
                                 z3="-1.672057"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="4.221945"
                                 y3="-1.067887"
                                 z3="1.757522"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="3.912797"
                                 y3="-0.043137"
                                 z3="-3.583088"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="3.540349"
                                 y3="1.597638"
                                 z3="-1.347133"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-3.375562"
                                 y3="1.543771"
                                 z3="1.295815"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="1.987054"
                                 y3="-1.572853"
                                 z3="3.444636"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="1.536055"
                                 y3="1.414504"
                                 z3="-3.399653"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="-1.569222"
                                 y3="1.480528"
                                 z3="3.365657"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="0.214751"
                                 y3="-0.000829"
                                 z3="0.143555"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="-3.742621"
                                 y3="-0.284971"
                                 z3="3.443799"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="-1.477112"
                                 y3="3.617895"
                                 z3="1.738085"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.408379"
                                 y3="-3.231054"
                                 z3="1.187451"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.413147"
                                 y3="3.387509"
                                 z3="-1.508056"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.060294"
                                 y3="-3.51358"
                                 z3="3.920285"/>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-1.592823"
                                 y3="0.884299"
                                 z3="-3.558244"/>
                           <atom elementType="H"
                                 id="a43"
                                 x3="-3.595454"
                                 y3="-1.739834"
                                 z3="1.049728"/>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.354573"
                                 y3="-4.737843"
                                 z3="-1.767704"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a26" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a21" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a19" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a17 a43" order="S"/>
                           <bond atomRefs2="a23 a42" order="S"/>
                           <bond atomRefs2="a28 a44" order="S"/>
                        </bondArray>
                        <formula concise="H3MoO31SiW8"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2090.726899999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4085,-2.2725,2.7762;2.8254,-3.0525,.1546;.0375,2.4097,-2.4411;.0029,2.4301,2.7689;1.3198,-2.5796,-.5148;2.433,2.6924,.0396;-2.4112,2.8831,.399;3.5437,3.994,.2234;-3.6214,4.0473,.0311;-2.4922,.1041,2.3361;3.0013,-.0834,2.5002;2.707,.376,-2.4249;1.3246,-.7774,1.1281;-.2542,-1.3458,-.6812;1.0391,1.0232,-.8497;-.8916,.909,.9373;-2.8597,-1.1078,.907;2.2212,-1.3086,-1.7354;3.8066,.5526,3.9046;3.0991,1.4212,1.2643;.2646,3.5863,4.0211;1.1879,1.1466,3.1182;-.9935,.8307,-2.7838;-1.0418,-1.1394,2.9152;-1.2999,2.8991,-1.1124;-.3749,3.4642,-3.7277;1.0682,3.1206,1.2614;.787,-3.9387,-1.6721;4.2219,-1.0679,1.7575;3.9128,-.0431,-3.5831;3.5403,1.5976,-1.3471;-3.3756,1.5438,1.2958;1.9871,-1.5729,3.4446;1.5361,1.4145,-3.3997;-1.5692,1.4805,3.3657;.2148,-.0008,.1436;-3.7426,-.285,3.4438;-1.4771,3.6179,1.7381;.4084,-3.2311,1.1875;1.4131,3.3875,-1.5081;.0603,-3.5136,3.9203;-1.5928,.8843,-3.5582;-3.5955,-1.7398,1.0497;1.3546,-4.7378,-1.7677;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">93</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">93</scalar>
                        <scalar dataType="xsd:string" dictRef="x:converged">CONVERGED</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-13.18878883</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00092920</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00100000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="cgradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00022777</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00066667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="gradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00092920</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00022777</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00365492</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                     <list cmlx:templateRef="csteprms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00072720</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
               </module>
               <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">-1</scalar>
                     </module>
                  </module>
                  <module cmlx:templateRef="adf.frequencyanalysis">
                     <module cmlx:templateRef="masses">
                        <array dataType="xsd:string" dictRef="cc:elementType" size="44">W O W W Mo W W O O 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 Si O O O O O H H H</array>
                        <array dataType="xsd:double" dictRef="cc:atomicmass" size="44">183.95093200 15.99491400 183.95093200 183.95093200 97.90540600 183.95093200 183.95093200 15.99491400 15.99491400 183.95093200 183.95093200 183.95093200 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 27.97692600 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 1.00782500 1.00782500 1.00782500</array>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">45135.46</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">2096.58</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">48468.14</scalar>
               </property>
               <property dictRef="cc:zeropoint">
                  <scalar dataType="xsd:double"
                          dictRef="cc:zeropoint"
                          units="nonsi:electronvolt">3.712089</scalar>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:double" dictRef="cc:frequency" size="126">26.763 45.282 49.836 52.654 55.270 64.048 70.553 75.671 81.263 82.424 86.377 96.081 101.790 106.727 109.696 112.068 116.229 120.716 123.147 127.082 130.957 132.607 135.995 142.435 144.712 149.363 154.589 158.730 159.785 165.608 169.872 172.263 175.772 180.286 181.601 185.349 190.589 191.645 192.879 195.668 197.937 200.509 209.178 212.729 219.403 221.996 230.295 232.528 236.156 238.640 243.565 248.859 252.610 254.904 257.074 264.827 277.382 279.514 288.542 291.888 295.575 302.559 308.905 319.926 331.865 335.013 338.312 344.746 347.029 349.936 353.715 358.872 364.051 372.165 377.342 396.596 410.148 417.823 439.626 453.672 462.553 468.759 474.565 487.950 489.612 506.127 515.443 532.871 554.119 567.608 580.533 607.302 627.470 636.161 657.709 666.619 683.137 689.452 699.519 711.237 726.153 745.064 755.754 787.549 807.116 816.683 830.470 840.123 847.444 854.749 878.253 883.220 896.474 913.193 955.207 959.406 962.713 964.332 966.157 970.941 973.701 991.471 996.972 3580.863 3630.887 3635.610</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="44">W O W W Mo W W O O 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 Si O O O O O H H H</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="16632">-0.018 0.009 -0.023 -0.129 -0.048 -0.037 0.050 0.013 -0.030 0.003 0.044 0.002 -0.101 0.018 -0.056 0.002 0.043 0.007 0.026 -0.146 -0.027 0.002 0.038 0.037 -0.011 -0.214 -0.118 -0.016 0.004 0.122 -0.014 -0.005 -0.045 0.042 0.012 0.037 -0.058 0.033 -0.007 -0.064 0.063 -0.034 -0.014 0.030 -0.005 -0.058 0.025 -0.013 -0.022 -0.080 0.194 -0.048 0.012 -0.011 0.027 -0.068 -0.040 -0.026 0.039 0.020 0.002 0.069 -0.022 0.006 0.049 0.008 0.075 0.024 -0.142 0.034 0.054 0.109 0.049 -0.076 -0.031 0.112 0.033 -0.033 -0.023 0.035 -0.012 -0.140 0.060 -0.084 -0.046 0.012 -0.119 0.086 -0.013 0.093 0.020 0.006 0.061 -0.022 -0.062 0.078 0.009 -0.024 -0.054 0.105 0.034 -0.001 0.019 0.039 0.035 -0.038 0.040 -0.015 0.026 0.036 0.178 -0.041 -0.027 -0.047 -0.125 0.058 -0.055 0.043 0.025 -0.006 0.010 -0.024 -0.050 0.447 -0.130 -0.439 0.030 -0.125 0.263 -0.174 0.036 -0.089 0.009 -0.004 -0.013 0.050 0.087 -0.096 0.019 0.046 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                  <atom elementType="O"
                        id="a23"
                        x3="-0.993483"
                        y3="0.830698"
                        z3="-2.783753"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-1.041826"
                        y3="-1.139438"
                        z3="2.915213"/>
                  <atom elementType="O"
                        id="a25"
                        x3="-1.299916"
                        y3="2.899114"
                        z3="-1.112356"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.374868"
                        y3="3.464193"
                        z3="-3.727749"/>
                  <atom elementType="O"
                        id="a27"
                        x3="1.068184"
                        y3="3.120581"
                        z3="1.261428"/>
                  <atom elementType="O"
                        id="a28"
                        x3="0.787015"
                        y3="-3.938665"
                        z3="-1.672057"/>
                  <atom elementType="O"
                        id="a29"
                        x3="4.221945"
                        y3="-1.067887"
                        z3="1.757522"/>
                  <atom elementType="O"
                        id="a30"
                        x3="3.912797"
                        y3="-0.043137"
                        z3="-3.583088"/>
                  <atom elementType="O"
                        id="a31"
                        x3="3.540349"
                        y3="1.597638"
                        z3="-1.347133"/>
                  <atom elementType="O"
                        id="a32"
                        x3="-3.375562"
                        y3="1.543771"
                        z3="1.295815"/>
                  <atom elementType="O"
                        id="a33"
                        x3="1.987054"
                        y3="-1.572853"
                        z3="3.444636"/>
                  <atom elementType="O"
                        id="a34"
                        x3="1.536055"
                        y3="1.414504"
                        z3="-3.399653"/>
                  <atom elementType="O"
                        id="a35"
                        x3="-1.569222"
                        y3="1.480528"
                        z3="3.365657"/>
                  <atom elementType="Si"
                        id="a36"
                        x3="0.214751"
                        y3="-0.000829"
                        z3="0.143555"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-3.742621"
                        y3="-0.284971"
                        z3="3.443799"/>
                  <atom elementType="O"
                        id="a38"
                        x3="-1.477112"
                        y3="3.617895"
                        z3="1.738085"/>
                  <atom elementType="O"
                        id="a39"
                        x3="0.408379"
                        y3="-3.231054"
                        z3="1.187451"/>
                  <atom elementType="O"
                        id="a40"
                        x3="1.413147"
                        y3="3.387509"
                        z3="-1.508056"/>
                  <atom elementType="O"
                        id="a41"
                        x3="0.060294"
                        y3="-3.51358"
                        z3="3.920285"/>
                  <atom elementType="H"
                        id="a42"
                        x3="-1.592823"
                        y3="0.884299"
                        z3="-3.558244"/>
                  <atom elementType="H"
                        id="a43"
                        x3="-3.595454"
                        y3="-1.739834"
                        z3="1.049728"/>
                  <atom elementType="H"
                        id="a44"
                        x3="1.354573"
                        y3="-4.737843"
                        z3="-1.767704"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a33" order="S"/>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a1 a39" order="S"/>
                  <bond atomRefs2="a1 a41" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a25" order="S"/>
                  <bond atomRefs2="a3 a26" order="S"/>
                  <bond atomRefs2="a3 a23" order="S"/>
                  <bond atomRefs2="a3 a34" order="S"/>
                  <bond atomRefs2="a3 a40" order="S"/>
                  <bond atomRefs2="a4 a21" order="S"/>
                  <bond atomRefs2="a4 a38" order="S"/>
                  <bond atomRefs2="a4 a35" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
                  <bond atomRefs2="a4 a22" order="S"/>
                  <bond atomRefs2="a5 a28" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a39" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a31" order="S"/>
                  <bond atomRefs2="a6 a40" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a7 a32" order="S"/>
                  <bond atomRefs2="a7 a25" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a38" order="S"/>
                  <bond atomRefs2="a10 a16" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a10 a37" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a10 a32" order="S"/>
                  <bond atomRefs2="a10 a35" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a22" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a12 a34" order="S"/>
                  <bond atomRefs2="a12 a31" order="S"/>
                  <bond atomRefs2="a12 a30" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a13 a36" order="S"/>
                  <bond atomRefs2="a14 a36" order="S"/>
                  <bond atomRefs2="a15 a36" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a17 a43" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
               </bondArray>
               <formula concise="H3MoO31SiW8"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2090.726899999998</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/Mo.O4Si.3H2O.24O.8W/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;3*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+2;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-3/rH3MoO31SiW8/c2-1(3)16-33(4)19-40(12,13)25-35(6,18-1)26-41(14,15,20-33)30-38(10)23-34(5,17-1)21-37(8,9,28-38)22-36(7,27-40)24-39(11,29-38,31-40)32-41/h2,8,12H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:5;13,14,15,16,36;17;23;28;2;8;9;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;1;4;6;7;12;3;11;10/E:;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;1-1,2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44nWO1WWMoWWO1O1WWWOOO1OOOO1OO1OOOOO1OOO1O1OOOOOSiO1OOOO1HHH/rB:;;;s2;;;s6;s7;;;;s11;s5;;s10;s10;s5s12;s11;s6s11;s4;s4s11;s3;s1s10;s3s7;s3;s4s6;s5;s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s23;s17;s28;/rC:.4085,-2.2725,2.7762;2.8254,-3.0525,.1546;.0375,2.4097,-2.4411;.0029,2.4301,2.7689;1.3198,-2.5796,-.5148;2.433,2.6924,.0396;-2.4112,2.8831,.399;3.5437,3.994,.2234;-3.6214,4.0473,.0311;-2.4922,.1041,2.3361;3.0013,-.0834,2.5002;2.707,.376,-2.4249;1.3246,-.7774,1.1281;-.2542,-1.3458,-.6812;1.0391,1.0232,-.8497;-.8916,.909,.9373;-2.8597,-1.1078,.907;2.2212,-1.3086,-1.7354;3.8066,.5526,3.9046;3.0991,1.4212,1.2643;.2646,3.5863,4.0211;1.1879,1.1466,3.1182;-.9935,.8307,-2.7838;-1.0418,-1.1394,2.9152;-1.2999,2.8991,-1.1124;-.3749,3.4642,-3.7277;1.0682,3.1206,1.2614;.787,-3.9387,-1.6721;4.2219,-1.0679,1.7575;3.9128,-.0431,-3.5831;3.5403,1.5976,-1.3471;-3.3756,1.5438,1.2958;1.9871,-1.5729,3.4446;1.5361,1.4145,-3.3997;-1.5692,1.4805,3.3657;.2148,-.0008,.1436;-3.7426,-.285,3.4438;-1.4771,3.6179,1.7381;.4084,-3.2311,1.1875;1.4131,3.3875,-1.5081;.0603,-3.5136,3.9203;-1.5928,.8843,-3.5582;-3.5955,-1.7398,1.0497;1.3546,-4.7378,-1.7677;/R:/0/N:5,28,2,15,30,41,9,23,26,8,21,17,37,19,29,14,18,39,16,13,34,25,31,38,24,33,32,40,27,20,35,22,36,12,1,7,3,6,4,10,11/E:(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,13.1,14.1,15.1</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="20">211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="20">2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="20"
                            units="nonsi:electronvolt">-7.903 -7.879 -7.835 -7.783 -7.725 -7.686 -7.594 -7.571 -7.537 -7.020 -4.998 -4.609 -4.492 -4.275 -3.920 -3.714 -3.680 -3.582 -3.446 -3.356</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="20">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="fit.test" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:sumfragments">0.00000000061276</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00040339067229</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00030565982227</scalar>
               </module>
               <module cmlx:templateRef="qtaim" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="atoms">
                     <array dataType="xsd:integer" dictRef="a:id" size="44">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</array>
                     <array dataType="xsd:integer" dictRef="cc:atomicNumber" size="44">74 74 74 74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 42 14 1 1 1</array>
                     <array dataType="xsd:double" dictRef="x:coords" size="132">0.408524 -2.272474 2.776215 0.037476 2.409747 -2.441144 0.002918 2.430118 2.768895 2.432954 2.692377 0.039615 -2.411248 2.883089 0.398959 -2.492211 0.104131 2.336110 3.001297 -0.083432 2.500149 2.707032 0.375963 -2.424929 2.825362 -3.052480 0.154553 3.543652 3.994012 0.223423 -3.621393 4.047263 0.031050 1.324621 -0.777390 1.128056 -0.254189 -1.345838 -0.681231 1.039121 1.023176 -0.849711 -0.891595 0.908982 0.937263 -2.859714 -1.107761 0.906975 2.221162 -1.308612 -1.735361 3.806597 0.552619 3.904618 3.099103 1.421243 1.264265 0.264648 3.586305 4.021065 1.187931 1.146585 3.118169 -0.993483 0.830698 -2.783753 -1.041826 -1.139438 2.915213 -1.299916 2.899114 -1.112356 -0.374868 3.464193 -3.727749 1.068184 3.120581 1.261428 0.787015 -3.938665 -1.672057 4.221945 -1.067887 1.757522 3.912797 -0.043137 -3.583088 3.540349 1.597638 -1.347133 -3.375562 1.543771 1.295815 1.987054 -1.572853 3.444636 1.536055 1.414504 -3.399653 -1.569222 1.480528 3.365657 -3.742620 -0.284971 3.443799 -1.477112 3.617894 1.738085 0.408379 -3.231054 1.187451 1.413147 3.387508 -1.508056 0.060294 -3.513580 3.920285 1.319796 -2.579561 -0.514785 0.214751 -0.000829 0.143555 -1.592823 0.884299 -3.558244 -3.595453 -1.739834 1.049728 1.354572 -4.737843 -1.767704</array>
                  </list>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">1</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.408524</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.272474</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.776215</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361415E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">2</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.037476</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.409747</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.441144</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361414E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.002918</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.430118</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.768895</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361414E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">4</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.432954</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.692377</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.039615</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361414E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">5</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.411248</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.883089</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.398959</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361416E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">6</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.492211</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.104131</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.336110</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361414E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">7</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.001297</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.083432</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.500149</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361414E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">8</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.707032</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.375963</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.424929</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361415E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">9</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.825362</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.052480</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.154553</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3196483E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">10</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.543652</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.994012</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.223423</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194401E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">11</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.621393</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">4.047263</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.031050</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194362E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">12</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.324621</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.777390</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.128056</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187535E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">13</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.254189</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.345838</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.681231</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189624E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">14</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.039121</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.023176</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.849711</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3186687E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">15</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.891595</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.908982</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.937263</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3186871E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">16</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.859714</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.107761</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.906975</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187646E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">17</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.221162</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.308612</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.735361</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189151E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">18</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.806597</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.552619</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.904618</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193498E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">19</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.099103</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.421243</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.264265</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188458E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">20</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.264648</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.586305</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">4.021065</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194113E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">21</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.187931</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.146585</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.118169</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191132E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">22</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.993483</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.830698</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.783753</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187618E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">23</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.041826</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.139438</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.915213</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188242E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">24</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.299916</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.899114</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.112356</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188048E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">25</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.374868</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.464193</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.727749</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194716E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">26</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.068184</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.120581</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.261428</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188748E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">27</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.787015</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.938665</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.672057</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188722E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">28</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">4.221945</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.067887</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.757522</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193836E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">29</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.912797</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.043137</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.583088</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194247E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">30</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.540349</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.597638</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.347133</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190564E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">31</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.375562</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.543771</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.295815</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189816E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">32</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.987054</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.572853</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.444636</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189868E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">33</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.536055</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.414504</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.399653</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190306E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">34</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.569222</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.480528</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.365657</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189964E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">35</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.742620</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.284971</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.443799</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194754E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">36</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.477112</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.617894</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.738085</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191383E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">37</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.408379</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.231054</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.187451</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190552E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">38</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.413147</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.387508</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.508056</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190112E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">39</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.060294</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.513580</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.920285</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194308E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">40</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.319796</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.579561</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.514785</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240644E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">41</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.214751</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.000829</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.143555</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1943371E+04</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">42</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.592823</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.884299</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.558244</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4546436E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">43</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.595453</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.739834</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.049728</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4545596E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">44</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.354572</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.737843</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.767704</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4461271E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">45</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.649905</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.500600</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.603576</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6491265E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2162831E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4578370E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1316039E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1654166E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2560785E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6401964E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1824092E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2821341E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1699505E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7278329E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8154695E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8763656E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1926745E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3254416E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2244211E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7468081E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8409807E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5920400E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3005070E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">46</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.942582</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.057423</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.980311</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1266246E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3950967E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9795277E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3723086E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8884213E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5246944E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1311736E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1675808E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9034492E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1153957E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1072005E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8322743E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2397309E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2179763E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4902364E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2457961E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3988904E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3240910E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4446352E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6161997E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">47</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.827361</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.978965</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.886643</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1260523E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7677439E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4313692E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1776161E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6097571E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5136821E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1284205E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1239434E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9158760E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7789667E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1052166E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8201260E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2320396E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2166637E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4875801E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2297506E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2016284E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1877938E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4443652E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1139476E+02</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">48</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.910884</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.157760</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.879208</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1674980E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2526293E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1110025E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1968068E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1129915E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6550826E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1637707E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1523782E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5353855E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4566655E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2553145E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3468584E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9154385E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6819168E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9572894E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7236826E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1628930E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2202968E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7123413E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4442688E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">49</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.073334</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.215868</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.437949</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1920881E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1762418E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3180971E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7210747E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1576383E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6363157E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1590789E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4593854E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1492020E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2154210E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1456108E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1321426E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1346815E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3799435E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8018078E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3505860E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7494089E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6324693E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4738586E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4678167E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">50</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.773233</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.912019</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.930564</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1496663E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4348438E-09</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3117082E-09</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2125522E-09</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2162144E-09</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5838668E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1459667E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1188249E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4979350E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4890499E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2184477E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2909287E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7248099E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5868814E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8422155E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6274944E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1496859E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1995361E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6968305E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4192075E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">51</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.018408</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.422463</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.036715</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4442812E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7720560E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4363327E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5210659E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3662985E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1829679E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4574198E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1709065E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4522043E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1958400E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3394211E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2214224E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1179987E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5394224E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1230141E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6794408E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2013249E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1208459E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4385046E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3374847E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">52</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.044826</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.890016</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.068783</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4774122E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2737973E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1695662E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4688382E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2097956E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1966715E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4916788E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3999575E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4742721E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2081037E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3666508E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2416228E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1250280E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5937128E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1372053E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9385125E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5645503E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3045935E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4327185E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1662407E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">53</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.839149</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.704241</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.598822</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9440063E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8305607E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2506947E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5583988E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6148298E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3785298E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9463244E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1084327E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7676052E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1391040E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7519502E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5575760E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1943742E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1473505E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3427218E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1744483E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4857868E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3437520E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4299420E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3591046E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">54</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.485026</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.024534</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.608054</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6524928E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1521583E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8164560E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8246139E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9841878E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2714032E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6785080E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9636373E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5784836E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7275539E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5177563E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3570046E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1607517E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9005047E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2131156E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1459820E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9222079E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5397720E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4225429E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1582962E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">55</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.523883</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.079913</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.638286</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6527089E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6591752E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6689279E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4935967E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4317401E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2701619E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6754048E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1049413E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5814624E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5916065E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5157236E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3560424E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1596812E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9009025E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2132103E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1511654E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1022288E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5946535E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4225419E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1478697E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">56</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.427456</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.828167</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.390035</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6664094E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1873121E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1730090E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5760206E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4284539E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2821441E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7053602E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8251761E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5763824E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1968365E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5379997E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3706391E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1673605E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9262037E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2192138E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1393805E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7264724E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4362453E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4225117E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1918593E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">57</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.307809</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.527657</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.672786</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1004532E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1796588E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1706000E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1274749E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1254448E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3780472E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9451180E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1213213E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8524592E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1523497E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7643577E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5835975E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1807602E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1600799E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3701033E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1783154E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5075536E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3628503E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4325278E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3513233E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">58</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.141434</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.034436</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.930504</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6412587E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1794628E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1282019E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1784002E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1469426E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2506374E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6265935E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9069795E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6085405E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1838564E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4812802E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3359670E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1453132E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8798922E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2081997E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1368640E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8964209E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5203247E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4226194E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1526782E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">59</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.245553</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.373726</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.473150</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1432985E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4068148E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2731012E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2207219E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2054162E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7823149E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1955787E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1809688E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3456483E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2778701E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2430549E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2905311E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4747618E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5538269E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8015913E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8634909E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2591546E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3553393E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6909093E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3331953E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">60</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.241240</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.537825</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.951169</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1395039E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1162009E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5954142E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2884015E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9974547E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5677954E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1419489E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2599976E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9811421E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1447174E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1178446E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9374028E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2410429E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2480277E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5503382E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2857977E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6535112E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5141228E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4506824E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4373264E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">61</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.083056</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.059558</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.339771</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5464219E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4267918E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3360656E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2599372E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4054437E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2227933E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5569832E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2302769E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5243138E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3541099E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4199945E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2830057E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1369888E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7108139E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1669444E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8340018E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1784856E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1204689E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4257787E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4672657E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">62</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.165523</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.226665</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.898999</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6207640E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2461949E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1117927E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2192738E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5770955E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2608049E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6520121E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6883316E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5539983E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1945942E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4948770E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3377419E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1571351E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8425981E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1992470E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1265676E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6655462E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3917605E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4228911E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1901711E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">63</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.482105</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.672307</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.474640</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8501358E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1244057E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7697452E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8622769E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4600528E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3512565E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8781411E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9247911E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6947087E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1381063E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6871028E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4960645E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1910383E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1281453E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3005688E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1599746E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4938225E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3365623E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4263428E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3239516E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">64</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.585924</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.592227</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.764510</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9507459E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1116950E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5408980E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4294517E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8778255E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3658121E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9145304E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1094510E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8037651E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1476740E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7321982E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5498660E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1823322E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1487548E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3457630E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1703322E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4950654E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3487331E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4302218E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3440601E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">65</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.671564</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.310839</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.556564</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1325580E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189663E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2505815E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9841788E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1710622E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6747259E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1686815E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1398156E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3519618E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1516419E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2114034E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2541253E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4272190E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4991827E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7336506E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7288661E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2224739E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2995753E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6804093E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3276186E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">66</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.395973</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.229564</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.875167</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6310473E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2563521E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8503807E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2056999E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1271711E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2409070E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6022674E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6077479E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6164062E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2210022E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4633851E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3245029E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1388822E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8612599E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2037365E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1144407E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5633350E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3356696E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4227323E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2031486E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">67</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.259896</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.431151</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.992287</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2837421E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1457734E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1331690E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5735473E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1504524E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1070169E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2675423E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1502287E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1699680E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3127914E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2541509E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2407595E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1339139E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6391707E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1260056E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6735277E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1547363E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1412038E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5072557E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4352744E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">68</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.203574</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.187288</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.228638</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5220550E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7450670E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6296407E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2972615E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2651660E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2009153E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5022882E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1432829E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5388409E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2225003E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3799677E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2576472E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1223205E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6688674E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1564163E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6976433E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7978177E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6613479E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4276201E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8744395E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">69</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.555912</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.421111</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.268267</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1398527E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1246017E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2472047E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6373924E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1041719E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7576347E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1894087E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1726491E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3427189E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1091163E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2344623E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2795160E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4505367E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5361417E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7797140E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8342573E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2570844E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3515708E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6876133E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3245072E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">70</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.126504</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.824534</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.149002</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2418614E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1643807E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1443771E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4098321E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6705689E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9022057E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2255514E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3212737E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7171092E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1860739E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4199426E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6143338E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1943912E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1112945E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1456788E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1091833E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1981032E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2741452E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7639719E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5511439E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">71</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.543175</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.732409</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.632707</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8976560E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5872453E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4759806E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2690347E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2142890E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3465641E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8664103E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9275415E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7709262E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1410441E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6889299E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5114496E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1774804E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1377838E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3218598E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1576836E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4453460E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3111519E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4280866E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3540700E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">72</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.672461</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.106970</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.281366</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3120889E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1401902E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6428675E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1096527E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5913363E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1272232E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3180580E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2311350E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1675627E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5768337E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3008631E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2836682E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1719491E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7256982E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1406130E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8441553E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2234752E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2080046E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5160961E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3777401E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">73</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.067560</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.514409</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.199482</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2561140E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6864736E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4465829E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4774826E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2093323E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9238899E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2309725E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3520571E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7703980E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3685624E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4505495E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6701266E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2195770E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1201239E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1556013E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1134797E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1990153E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2755821E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7719980E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5702056E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">74</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.814272</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.880712</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.406549</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1619207E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1982179E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1241150E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6959445E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1543936E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6967164E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1741791E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1543082E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4757672E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2087997E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2542339E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3342887E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8005481E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6518109E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9210928E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7620616E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1726654E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2319992E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7076496E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4413517E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">75</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.045674</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.477907</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.981581</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2738393E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4861168E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2282405E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4079391E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1334221E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1041125E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2602812E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1378026E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1646657E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2921615E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2449532E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2296251E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1532809E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6096015E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1209474E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6475860E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1482292E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1342372E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5040219E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4368817E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">76</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.777701</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.030442</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.209023</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8157110E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1427586E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3549407E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1101685E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8356488E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3335093E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8337733E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3226526E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3170047E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3423947E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9963657E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1158958E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1625924E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2612764E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4222957E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3097971E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9649402E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1147814E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6187048E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3210532E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">77</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.956707</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.026111</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.931331</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2737403E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2555327E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1602936E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2530394E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1973895E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1003476E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2508689E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1289742E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1707409E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2851152E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2386353E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2264016E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1223367E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6093078E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1208970E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6204694E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1363764E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1236207E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5039892E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4549683E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">78</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.537550</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.682023</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.609019</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5587938E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9352790E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4354978E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1078866E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8206394E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2183114E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5457784E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1257939E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2578039E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9200785E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5983586E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6509388E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5258016E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1577807E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2742352E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1837307E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6304919E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6834932E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5753480E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2914085E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">79</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.765906</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.834370</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.871385</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1135744E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6514518E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6029690E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8824005E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2302857E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5455579E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1363895E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2088063E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7248360E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1315583E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1074030E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7841648E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2898649E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1885496E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4299880E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2662018E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7419223E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5461904E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4384997E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3588001E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">80</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.785283</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.895610</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.145629</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1185211E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5314754E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3067479E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3656404E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2338353E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4901962E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1225491E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7458650E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4020092E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3725969E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1638091E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2050692E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4126006E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4299777E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6460054E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4969033E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1309779E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1678788E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6655946E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3793795E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">81</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.813015</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.667418</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.013040</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6083202E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6668896E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6476790E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5456574E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1492521E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2539095E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6347737E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4836281E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5501587E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1381774E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4813868E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3280000E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1533868E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8201526E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1938211E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1106486E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4329298E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2637755E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4231492E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2555809E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">82</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.776550</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.004622</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.691012</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1586606E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1639721E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8000057E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1298061E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6030875E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6851704E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1712926E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1481514E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4676596E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8538045E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2477061E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3241196E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7641350E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6343719E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9000204E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7457169E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1707862E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2289117E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7048417E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4366378E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">83</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.991719</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.103743</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.695750</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9946635E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2397188E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4260237E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8073240E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2216584E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3901889E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9754721E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4852033E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3771076E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9394817E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1263411E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1551351E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2879392E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3403716E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5292737E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3802997E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1098670E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1364452E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6430919E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3461454E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">84</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.661586</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.615800</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.098147</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2451485E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3407403E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1680513E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2057274E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2711048E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9219996E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2304999E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3309831E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7176805E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2082270E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4293754E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6282509E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1988755E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1133159E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1479574E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1118331E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1991222E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2745175E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7658682E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5616304E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">85</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.359715</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.148972</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.051908</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2527603E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1038290E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7245810E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2579694E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6974814E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9377853E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2344463E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3489341E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7424911E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5237090E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4464214E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6583965E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2119751E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1180312E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1532565E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1146490E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2003507E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2762028E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7701546E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5722415E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">86</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.524782</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.165534</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.194201</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7037532E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6659245E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5830998E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188692E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4209990E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2911279E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7278198E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1447983E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6117350E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5831474E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5594186E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3910175E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1684011E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9960449E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2356231E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1768046E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1308241E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7720280E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4227281E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1351469E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">87</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.418441</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.775408</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.919928</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1777004E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4548498E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1981591E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4179599E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4524918E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6810072E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1702518E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1700218E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5683407E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7749440E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2747696E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3792874E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1045178E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7378525E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1023974E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7634884E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1667077E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2269860E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7205777E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4579802E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">88</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.220999</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.945072</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.395643</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2528233E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1252471E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9805524E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7774272E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5298496E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9372659E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2343165E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3493674E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7432112E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2094032E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4464554E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6585942E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2121389E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1180705E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1533005E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1146189E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2006872E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2768897E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7701895E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5711322E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">89</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.232316</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.560551</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.744096</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3266259E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4426941E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2791939E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2575395E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2273812E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1785089E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4462722E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6344450E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5980042E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4814418E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1472730E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7408182E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5935452E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1661317E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2063348E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1793743E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6196881E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1484585E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8051558E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2894590E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">90</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.123663</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.425893</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.780783</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6332890E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8909219E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5146149E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2896641E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6670893E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2505472E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6263681E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1750543E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2767324E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1606731E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7064727E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7865773E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8010458E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1864322E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3163912E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2189630E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7447507E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8342686E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5892458E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2940084E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">91</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.839926</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.692478</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.603316</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5010597E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4923749E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4447050E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1143219E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1777668E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1960923E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4902307E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9603432E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2393142E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1156322E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5223523E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5544740E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3212169E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1364282E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2420732E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1599229E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5562083E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5860313E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5635826E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2875233E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">92</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.045565</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.559093</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.814342</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6016170E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1250123E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5385400E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8968287E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6844563E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2521532E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6303829E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1685937E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2524346E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2075508E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6854727E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7405625E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5508982E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1741052E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2983829E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2189387E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7756021E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8588664E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5834961E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2822823E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">93</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.368103</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.663795</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.840189</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1755968E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1228095E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5843308E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9473759E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5188958E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7362121E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1840530E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1788452E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5153922E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1943661E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2808012E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3775493E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9674815E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7262294E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1010175E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8210220E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1773955E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2402494E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7189147E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4628200E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">94</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.220122</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.281343</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.103005</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2851220E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5625877E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5158996E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2218968E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3338104E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1075103E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2687757E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1541663E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1705615E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3349064E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2555884E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2424012E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1318726E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6433184E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1267123E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6795688E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1590772E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1452659E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5077000E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4271943E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">95</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.313707</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.207812</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.045101</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3354640E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1074752E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7343484E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2948438E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7272499E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1376433E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3441083E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2720262E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1746900E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6209131E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3295926E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3150770E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1451565E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7990605E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1527944E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9281908E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2362639E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2236855E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5229645E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3928619E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">96</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.644141</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.738089</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.945659</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2121750E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3738123E-08</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2497916E-08</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2693795E-08</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6909772E-09</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8623517E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2155879E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2601010E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6031414E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1683880E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3604420E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5052960E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1448540E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9346393E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1253690E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1007329E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1941807E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2661135E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7455108E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5187587E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">97</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.447718</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.645573</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.821628</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3565950E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2158251E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1426547E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1442383E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7365750E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1276143E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3190357E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3805140E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2086119E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7636166E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3236149E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3281941E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4579198E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8668660E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1639058E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9467681E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3472299E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3343473E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5288806E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2726631E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">98</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.833818</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.874925</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.923211</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1121682E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1243284E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3775734E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7230273E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9383092E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4349255E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1087314E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6294514E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4133465E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3154271E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1473938E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1860562E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3866243E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3995255E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6067875E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4366318E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1203528E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1531408E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6584274E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3627932E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">99</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.896827</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.413060</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.095718</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3736293E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4234569E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2497393E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6198031E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3363101E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1317906E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3294765E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1698547E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2183385E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1704240E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3395466E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3496168E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1007017E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9225140E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1729287E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8310688E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7604017E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7194503E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5334651E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1092934E+02</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">100</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.859706</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.494550</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.917084</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4852853E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5808631E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1832704E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4383480E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3341630E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1825404E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4563510E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8431199E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2437340E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5275985E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4896144E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5228778E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3326343E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1307318E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2333700E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1470925E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5076611E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5302068E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5601913E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2897454E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">101</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.464773</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.033903</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.955589</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8845263E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8953646E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1040289E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3717588E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8078683E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3704246E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9260614E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2674585E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7037709E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1368046E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7259968E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5259322E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2000646E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1351033E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3159672E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2418082E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1795556E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1133536E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4275866E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1346704E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">102</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.038158</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.711972</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.839835</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1348829E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1329173E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5621249E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1065784E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7922401E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5669605E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1417401E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1032881E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4311766E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1262199E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1963518E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2509634E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5461166E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5108902E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7482942E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5957555E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1520611E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2001375E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6827397E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3917869E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">103</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.434855</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.260588</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.261117</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2428031E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2283094E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1031781E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8287099E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1860426E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9067331E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2266833E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3222919E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7181645E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2773037E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4224487E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6182140E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1957654E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1118726E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1463310E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1097324E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1968940E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2716161E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7645180E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5573169E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">104</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.169397</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.105500</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.936022</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2580668E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1806602E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1513546E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9847266E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5746272E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9858360E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2464590E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3759385E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7311873E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4958123E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4646522E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6828453E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2181932E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1213467E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1569695E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1211775E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2091229E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2882714E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7730589E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5794556E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">105</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.903758</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.271232</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.121359</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2111299E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4957394E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8603144E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2378469E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4263625E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7811050E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1952763E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2408317E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6604198E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4870585E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3451247E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4949731E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1498484E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9285063E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1246629E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9154491E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1836080E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2543936E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7448139E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4985888E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">106</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.719498</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.552846</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.631958</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1191041E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5028551E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3832973E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3037589E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1169483E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5066416E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1266604E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7948965E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3921544E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2805135E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1672243E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2077882E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4056392E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4328003E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6496190E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5168095E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1399208E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1802639E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6662371E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3693587E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">107</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.567199</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.783293</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.964045</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1291908E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1090468E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1009197E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4017579E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9608335E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5350654E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1337663E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9167893E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4251992E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2243951E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1839731E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2341799E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5020680E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4823482E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7125055E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5553852E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1430746E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1866244E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6769747E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3881788E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">108</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.306328</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.640867</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.304471</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4445321E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5038447E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2283882E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3210085E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3876743E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1586287E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3965718E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6170745E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2423278E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1936822E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4245485E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4525251E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2797668E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1163025E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2110643E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1233368E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4116132E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4196300E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5510290E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2996425E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">109</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.447961</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.864416</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.980903</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1124005E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3374225E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2624311E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1811295E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1103447E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4402216E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1100554E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6445855E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4097844E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2428248E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1485353E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1870151E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3847984E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4006292E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6082166E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4430247E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1232978E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1571725E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6586950E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3593129E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">110</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.437794</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.517342</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.048203</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1601477E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7647527E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2280284E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6620177E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3075424E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6693966E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1673492E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1456571E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4861806E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5176037E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2471693E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3269894E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7982013E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6423121E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9096247E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7295844E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1652958E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2215200E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7061286E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4413810E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">111</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.627558</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.858043</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.664503</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3424355E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2374632E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8841118E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2142104E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5182783E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1263021E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3157552E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3589134E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1970156E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1022683E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3141846E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3126140E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1570564E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8212777E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1564500E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9293914E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3469676E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3304910E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5249457E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2678611E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">112</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.457596</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.876325</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.385720</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3311895E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1702011E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2835019E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1006815E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1675211E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1753633E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4384084E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6283751E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6229721E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2422426E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1629214E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7642512E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6013298E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1692338E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2097137E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1773586E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6054820E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1460062E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8069755E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2929213E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">113</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.016697</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.554907</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.197995</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1430484E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4259606E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9388760E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1711276E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3899611E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7543902E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1885975E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1718973E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3574007E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2717725E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2380732E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2875489E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4947566E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5525383E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8000007E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8299506E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2457445E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3361266E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6906723E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3377291E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">114</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.062102</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.313411</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.116789</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1637465E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3259081E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6954479E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1679429E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2705084E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6329749E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1582437E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1439260E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5335561E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1175604E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2462156E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3341876E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8797193E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6616289E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9329218E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6959009E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1593232E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2151309E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7092007E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4367857E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">115</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.843862</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.893573</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.387378</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1068319E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1838742E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5587029E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1077714E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1381070E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3995076E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9987690E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5430813E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4148806E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7489719E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1356463E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1714156E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3576935E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3743861E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5740732E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3961777E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1111713E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1400735E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6521575E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3563670E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">116</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.255698</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.888814</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.119445</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1808432E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5514870E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2531612E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2995109E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3877378E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6771284E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1692821E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1732281E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5885445E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6369790E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2789048E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3885275E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1096227E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7553034E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1044637E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7629387E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1657990E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2264160E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7230296E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4601587E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">117</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.034999</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.397483</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.137370</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2550062E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1059039E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8792880E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5798313E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1105073E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9398660E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2349665E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3543634E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7518512E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3974474E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4510774E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6671883E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2161109E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1194317E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1548261E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1152162E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2010461E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2775721E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7713921E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5730835E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">118</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.884526</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.040440</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.781949</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1312170E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6831519E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2200930E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4456749E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4686464E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5122010E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1280503E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8908448E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4558508E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3095678E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1826532E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2372561E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5460293E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4924608E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7252203E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5332474E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1357476E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1773919E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6790500E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3928227E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">119</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.705609</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.820672</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.402663</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5450704E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8674409E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5174098E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6194069E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3179245E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2099152E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5247879E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1157609E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2572312E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2006578E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5748450E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6249021E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5005710E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1526354E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2665480E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1750969E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5983192E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6442254E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5726374E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2926480E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">120</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.703349</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.903091</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.697457</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1622021E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6044607E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3906651E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1942823E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4183394E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6741413E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1685353E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1500124E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4931243E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1873134E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2508716E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3332080E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8233633E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6533217E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9229146E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7380396E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1676255E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2254390E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7078896E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4402907E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">121</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">3.142901</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.032736</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.839758</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1909201E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3082207E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3176712E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1318119E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2767968E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7157377E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1789344E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1955699E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6094604E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5703154E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3010453E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4231563E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1221109E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8119339E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1111270E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8176440E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1729394E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2375419E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7306361E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4727922E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">122</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.144733</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.056804</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.447926</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2530120E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2681871E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2162983E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1260927E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2357056E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9092630E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2273157E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3417402E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7670533E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6698043E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4421493E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6569829E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2148336E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1181880E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1534323E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1113406E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1968666E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2726852E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7702939E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5655637E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">123</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.704407</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.549749</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.589927</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1571133E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2894635E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9409520E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1305922E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2405845E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6163143E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1540786E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1348103E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5114846E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1408114E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2340671E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3140556E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7998850E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6261365E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8900412E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6720594E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1591981E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2143956E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7034916E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4221528E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">124</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.505797</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.908924</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.582871</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1189494E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3877463E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2290106E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3071084E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5988133E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4552955E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1138239E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6736695E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4354353E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3369925E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1584875E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2031511E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4466359E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4320508E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6486598E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4589224E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1161945E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1481507E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6660668E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3949606E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">125</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.984615</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.836893</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.866413</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1399655E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3841589E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2181232E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2747076E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1566400E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5652425E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1413106E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1057614E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4599882E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5134998E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2025425E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2637743E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6123183E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5367183E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7804289E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5972092E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1465733E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1933143E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6877222E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4074474E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">126</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.957584</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.387845</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.142013</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2771738E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4093327E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1720943E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5122230E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3678492E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1022115E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2555288E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1293182E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1711460E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2586022E+01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2432405E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2309521E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1228837E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6195189E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1226480E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6300742E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1315785E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1197378E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5051196E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4788581E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">127</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.835323</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.919302</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.068039</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1478535E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1785160E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1620340E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5139118E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5451504E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5660083E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1415021E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1144195E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5033187E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2032958E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2130358E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2845695E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7153370E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5774227E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8306249E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6074044E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1471810E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1962216E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6951666E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4126921E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">128</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.518127</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.580534</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.641694</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1552279E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4306407E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2194290E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3689811E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3398974E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5946101E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1486525E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1285486E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5195940E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1246269E+00</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2278333E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3070140E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7918074E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6161384E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8779013E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6468126E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1546605E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2080771E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7018310E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4182146E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">129</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.669259</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.659979</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.728585</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1351369E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1370918E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1304123E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4221267E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2208520E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5759593E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1439898E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1050109E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4257729E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3407742E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1981715E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2523531E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5418166E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5121734E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7498962E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6053092E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1540907E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2028105E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6829923E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3928266E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">130</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.071076</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.933856</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.935293</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1839179E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4865767E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1933132E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2448671E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3733992E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6959513E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1739878E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1818677E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5889443E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5707218E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2867738E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3995598E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1127860E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7724736E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1064907E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7876176E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1699016E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2325096E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7253910E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4635727E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">131</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.938078</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.873047</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.778549</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1286925E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6245711E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2125350E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4815915E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3361363E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4965029E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1241257E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8514831E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4552818E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1769160E-01</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1769375E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2297492E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5281173E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4798692E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7093826E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5154560E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1339118E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1747454E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6764603E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3849220E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">132</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.431811</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.597286</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.021550</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3317039E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3745188E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3414101E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8278078E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1298107E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1768201E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4420503E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6338146E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6194397E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3668317E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1616723E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7653949E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6037226E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1695843E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2100953E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1789736E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6099228E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1471929E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8071783E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2934365E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">133</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.184542</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.980905</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.138846</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2592901E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1930332E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4478026E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1212572E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1433641E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9697323E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2424331E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3734350E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7492115E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5953309E-02</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="energycomp">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Gb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4643448E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6862565E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2219117E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1221142E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1578276E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1194202E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2067117E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2856008E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7737189E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5777138E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <list cmlx:templateRef="bondPaths">
                     <array dataType="xsd:integer" dictRef="a:bondPath" size="62">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</array>
                     <array dataType="xsd:integer" dictRef="a:cp" size="62">100 93 116 87 88 70 101 78 128 129 133 98 50 97 122 96 107 127 76 108 124 80 114 115 117 119 82 120 83 118 73 111 74 48 105 45 123 106 131 125 104 90 103 102 92 84 109 91 110 85 121 130 65 86 55 113 69 59 132 58 112 89</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx1" size="62">1 1 1 1 1 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 13 14 14 14 15 16 17 22 23 28</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx2" size="62">13 24 33 39 41 5 29 15 23 25 26 34 40 16 21 22 27 35 38 13 14 18 28 39 8 15 20 27 31 40 9 16 25 32 38 16 17 24 32 35 37 13 19 20 22 29 33 15 18 30 31 34 36 17 23 36 36 36 43 24 42 44</array>
                     <array dataType="xsd:double" dictRef="a:distance" size="62">2.406437 1.845700 1.851490 1.855545 1.723514 1.714174 2.908361 2.336350 1.916678 1.947762 1.713836 2.038378 1.928507 2.543401 1.724297 1.781490 1.970784 1.931183 2.159600 2.438600 2.006790 1.979287 1.862874 2.037825 1.720956 2.349447 1.886612 1.881165 2.085149 1.979520 1.719044 2.548767 1.876003 1.878304 1.790477 2.273001 1.909494 1.996357 1.983705 1.950985 1.715196 2.274964 1.739425 1.949622 2.276661 1.735116 2.034482 2.383721 1.883977 1.723614 1.829905 1.843866 1.674544 3.060693 3.115199 1.645973 1.647650 1.637598 0.980412 3.199830 0.980774 0.984863</array>
                     <array dataType="xsd:double" dictRef="a:length" size="62">2.407295 1.845890 1.851941 1.855892 1.723520 1.714910 2.913151 2.337042 1.917504 1.947975 1.713847 2.039214 1.929273 2.543706 1.724316 1.781705 1.971080 1.931667 2.160802 2.439678 2.008437 1.979907 1.864149 2.038842 1.720973 2.350050 1.886953 1.881644 2.086088 1.980156 1.719057 2.549206 1.876205 1.878812 1.790705 2.273768 1.910426 1.996571 1.984505 1.951739 1.715202 2.275551 1.739444 1.949985 2.277032 1.735127 2.035295 2.384300 1.884325 1.723625 1.830225 1.844226 1.674805 3.072669 3.162052 1.646015 1.647667 1.637643 0.980652 3.213871 0.981020 0.985128</array>
                     <array dataType="xsd:double" dictRef="a:steps" size="62">28 23 22 22 21 23 31 27 23 23 21 26 27 29 22 25 23 23 27 27 23 23 23 25 21 27 23 26 25 23 21 29 23 24 23 27 23 23 23 23 22 27 21 23 26 23 24 27 26 23 23 22 22 33 35 21 20 23 20 35 22 20</array>
                  </list>
               </module>
               <module cmlx:templateRef="mulliken" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="44">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="44">W O W W Mo W W O O 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 Si O O O O O H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="44">2.5313 -0.5927 2.5394 2.4676 2.3724 2.5274 2.5527 -0.7097 -0.7175 2.5473 2.4383 2.5470 -1.1542 -0.9181 -1.1861 -1.1409 -0.7003 -0.9397 -0.7589 -0.9576 -0.7306 -0.8799 -0.7154 -0.9672 -0.9814 -0.6963 -0.9475 -0.6484 -0.7317 -0.7206 -0.9215 -0.9480 -0.9628 -0.9314 -0.9516 2.2010 -0.6914 -0.8872 -0.9118 -0.9483 -0.7204 0.3156 0.3109 0.3184</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="44">2.0790 1.9964 2.1027 2.0999 1.9760 2.0928 2.0718 1.9784 1.9802 2.1019 2.1137 2.0698 1.9049 1.9299 1.8947 1.8940 1.8872 1.9351 1.9685 1.9340 1.9765 1.9536 1.8876 1.9309 1.9302 1.9806 1.9366 1.8910 1.9708 1.9778 1.9557 1.9491 1.9502 1.9531 1.9500 2.3364 1.9799 1.9616 1.9509 1.9496 1.9796 0.5842 0.5894 0.5871</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="44">6.0932 4.5579 6.0989 6.0957 6.0878 6.0831 6.0764 4.6921 4.6973 6.1019 6.0782 6.0802 5.2182 4.9550 5.2610 5.2197 4.7794 4.9760 4.7545 4.9917 4.7156 4.8921 4.7940 5.0045 5.0215 4.6747 4.9785 4.7256 4.7235 4.7036 4.9288 4.9631 4.9763 4.9408 4.9675 6.8618 4.6707 4.8865 4.9265 4.9663 4.7016 0.1002 0.0997 0.0946</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="44">3.2691 0.0384 3.2301 3.3089 3.5638 3.2676 3.2721 0.0393 0.0399 3.2195 3.3420 3.2757 0.0311 0.0332 0.0304 0.0272 0.0337 0.0287 0.0359 0.0320 0.0386 0.0343 0.0338 0.0317 0.0297 0.0409 0.0323 0.0318 0.0375 0.0392 0.0371 0.0358 0.0363 0.0374 0.0341 0.6008 0.0408 0.0391 0.0344 0.0323 0.0393 0.0000 0.0000 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="44">14.0273 0.0000 14.0288 14.0280 0.0000 14.0290 14.0270 0.0000 0.0000 14.0294 14.0278 14.0273 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="atomic.charges" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="44">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="44">W O W W Mo W W O O 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 Si O O O O O H H H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="44">2.475957 -0.870842 2.543477 2.485683 3.163025 2.525029 2.482362 -0.730196 -0.735015 2.551879 2.489263 2.474780 -1.092073 -1.008335 -1.067248 -1.060911 -0.530977 -1.042780 -0.793577 -0.930573 -0.752922 -0.891032 -0.538852 -0.933985 -0.939137 -0.707716 -0.930612 -0.616603 -0.771965 -0.742737 -0.884521 -0.899694 -0.902691 -0.887742 -0.911963 1.756447 -0.703610 -0.859722 -0.989425 -0.910972 -0.739377 0.131970 0.135165 0.162770</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="44">1.951310 -0.624411 1.965758 1.935400 2.291400 1.954440 1.963866 -0.603794 -0.599132 1.967744 1.938145 1.957102 -0.832534 -0.824221 -0.787721 -0.789005 -0.700637 -0.778734 -0.684813 -0.693917 -0.622795 -0.692434 -0.712595 -0.693309 -0.687759 -0.573519 -0.700089 -0.693634 -0.657147 -0.603974 -0.723555 -0.711494 -0.725823 -0.710198 -0.723709 1.350452 -0.570393 -0.711502 -0.781564 -0.732308 -0.600531 0.410438 0.411744 0.449455</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="44">2.002150 -0.682349 2.075595 2.009779 2.692836 2.040689 2.080772 -0.573939 -0.590888 2.109014 2.014982 2.039769 -0.862156 -0.907268 -0.829047 -0.849448 -0.712507 -0.954243 -0.672190 -0.774980 -0.592046 -0.748646 -0.676100 -0.788140 -0.805876 -0.558810 -0.767638 -0.688484 -0.651693 -0.588695 -0.751034 -0.764567 -0.756271 -0.749935 -0.783928 1.358572 -0.568247 -0.734095 -0.876495 -0.791048 -0.577134 0.389171 0.417820 0.396750</array>
                  </list>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">-14.27326899 -14.08868699 -15.20882536</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">25.16993599</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-10.65136740 -7.48302420 -10.47490490 23.27120571 6.79978951 -12.61983831</array>
               </module>
               <module cmlx:templateRef="bonding.energy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-316.7034</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">314.7069</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">-57.0026</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-296.8789</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-3.0072</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-358.8852</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:32  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:32  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:33  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Silicon (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:34  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:34  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Molybdenum (TZP, 3d frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:35  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:35  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Oxygen (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:36  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:36  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Tungsten (TZP, 4d frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr17-2024 13:21:38  Nodes: 1  Procs: 28</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">*** (NO TITLE) ***</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-1</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.54210531</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.95743790</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-12.75562382</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.08793229</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.11892769</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.12650461</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.13249457</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.14122871</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.14363276</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.14634980</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-13.14813475</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:double"
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                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
