<?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">Apr27-2024 16:09:10</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">0.32</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.02</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">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:10  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">Apr27-2024 16:09:10</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">0.02</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">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:11  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">Apr27-2024 16:09:11</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">0.68</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.02</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">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:11  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">Apr27-2024 16:09:11  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:12  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">Apr27-2024 16:09:13</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">0.43</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.01</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">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:11  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">Apr27-2024 16:09:11  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:12  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">Apr27-2024 16:09:13  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:13  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">Apr27-2024 16:09:13</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">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:11  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">Apr27-2024 16:09:11  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:12  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">Apr27-2024 16:09:13  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:13  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">Apr27-2024 16:09:13  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:14  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">Apr27-2024 16:09:16</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="0.5824"
                        y3="-2.9880"
                        z3="-1.8693"/>
                  <atom elementType="O"
                        id="a2"
                        x3="-0.1837"
                        y3="0.1837"
                        z3="-5.5545"/>
                  <atom elementType="W"
                        id="a3"
                        x3="-0.4634"
                        y3="3.1070"
                        z3="1.7010"/>
                  <atom elementType="Mo"
                        id="a4"
                        x3="2.9880"
                        y3="-0.5824"
                        z3="1.8693"/>
                  <atom elementType="W"
                        id="a5"
                        x3="0.0841"
                        y3="-0.0841"
                        z3="-3.5703"/>
                  <atom elementType="W" id="a6" x3="2.4405" y3="2.6087" z3="0.0000"/>
                  <atom elementType="W"
                        id="a7"
                        x3="0.0841"
                        y3="-0.0841"
                        z3="3.5703"/>
                  <atom elementType="O" id="a8" x3="4.1114" y3="3.7439" z3="0.0000"/>
                  <atom elementType="O"
                        id="a9"
                        x3="-0.1837"
                        y3="0.1837"
                        z3="5.5545"/>
                  <atom elementType="W"
                        id="a10"
                        x3="0.5824"
                        y3="-2.9880"
                        z3="1.8693"/>
                  <atom elementType="W"
                        id="a11"
                        x3="2.9880"
                        y3="-0.5824"
                        z3="-1.8693"/>
                  <atom elementType="Mo"
                        id="a12"
                        x3="-0.4634"
                        y3="3.1070"
                        z3="-1.7010"/>
                  <atom elementType="O"
                        id="a13"
                        x3="0.7185"
                        y3="-0.7185"
                        z3="-1.4370"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.7347"
                        y3="-0.2976"
                        z3="0.0000"/>
                  <atom elementType="O"
                        id="a15"
                        x3="0.2976"
                        y3="1.7347"
                        z3="0.0000"/>
                  <atom elementType="O"
                        id="a16"
                        x3="0.7185"
                        y3="-0.7185"
                        z3="1.4370"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-1.2633"
                        y3="-2.8851"
                        z3="1.3116"/>
                  <atom elementType="O"
                        id="a18"
                        x3="0.1166"
                        y3="1.7384"
                        z3="-2.9334"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-1.7384"
                        y3="-0.1166"
                        z3="2.9334"/>
                  <atom elementType="O"
                        id="a20"
                        x3="2.8851"
                        y3="1.2633"
                        z3="-1.3116"/>
                  <atom elementType="O"
                        id="a21"
                        x3="-2.1225"
                        y3="2.1225"
                        z3="-1.6218"/>
                  <atom elementType="O"
                        id="a22"
                        x3="3.2693"
                        y3="-0.9757"
                        z3="0.0000"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-2.1225"
                        y3="2.1225"
                        z3="1.6218"/>
                  <atom elementType="O"
                        id="a24"
                        x3="0.9757"
                        y3="-3.2693"
                        z3="0.0000"/>
                  <atom elementType="O"
                        id="a25"
                        x3="0.1166"
                        y3="1.7384"
                        z3="2.9334"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-1.2633"
                        y3="-2.8851"
                        z3="-1.3116"/>
                  <atom elementType="O"
                        id="a27"
                        x3="2.8851"
                        y3="1.2633"
                        z3="1.3116"/>
                  <atom elementType="O"
                        id="a28"
                        x3="-1.7384"
                        y3="-0.1166"
                        z3="-2.9334"/>
                  <atom elementType="O"
                        id="a29"
                        x3="2.0251"
                        y3="-0.1198"
                        z3="-3.4922"/>
                  <atom elementType="O"
                        id="a30"
                        x3="-0.9434"
                        y3="4.6111"
                        z3="-2.9610"/>
                  <atom elementType="O"
                        id="a31"
                        x3="1.3969"
                        y3="3.5418"
                        z3="-1.3473"/>
                  <atom elementType="O"
                        id="a32"
                        x3="0.1198"
                        y3="-2.0251"
                        z3="3.4922"/>
                  <atom elementType="O"
                        id="a33"
                        x3="2.4197"
                        y3="-2.4197"
                        z3="-2.1450"/>
                  <atom elementType="O"
                        id="a34"
                        x3="-0.9030"
                        y3="3.9364"
                        z3="0.0000"/>
                  <atom elementType="O"
                        id="a35"
                        x3="2.4197"
                        y3="-2.4197"
                        z3="2.1450"/>
                  <atom elementType="Si"
                        id="a36"
                        x3="0.0000"
                        y3="0.0000"
                        z3="0.0000"/>
                  <atom elementType="O"
                        id="a37"
                        x3="0.6835"
                        y3="-4.8710"
                        z3="2.5935"/>
                  <atom elementType="O"
                        id="a38"
                        x3="2.0251"
                        y3="-0.1198"
                        z3="3.4922"/>
                  <atom elementType="O"
                        id="a39"
                        x3="0.1198"
                        y3="-2.0251"
                        z3="-3.4922"/>
                  <atom elementType="O"
                        id="a40"
                        x3="1.3969"
                        y3="3.5418"
                        z3="1.3473"/>
                  <atom elementType="O"
                        id="a41"
                        x3="0.6835"
                        y3="-4.8710"
                        z3="-2.5935"/>
                  <atom elementType="O"
                        id="a42"
                        x3="4.8710"
                        y3="-0.6835"
                        z3="-2.5935"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-0.9434"
                        y3="4.6111"
                        z3="2.9610"/>
                  <atom elementType="O"
                        id="a44"
                        x3="4.8710"
                        y3="-0.6835"
                        z3="2.5935"/>
                  <atom elementType="H"
                        id="a45"
                        x3="-2.6485"
                        y3="0.5559"
                        z3="1.7251"/>
                  <atom elementType="H"
                        id="a46"
                        x3="-2.6485"
                        y3="0.5559"
                        z3="-1.7251"/>
               </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="a1 a26" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a34" order="S"/>
                  <bond atomRefs2="a3 a43" order="S"/>
                  <bond atomRefs2="a3 a25" order="S"/>
                  <bond atomRefs2="a3 a23" order="S"/>
                  <bond atomRefs2="a3 a40" order="S"/>
                  <bond atomRefs2="a4 a44" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
                  <bond atomRefs2="a4 a38" order="S"/>
                  <bond atomRefs2="a4 a22" order="S"/>
                  <bond atomRefs2="a4 a35" order="S"/>
                  <bond atomRefs2="a5 a39" order="S"/>
                  <bond atomRefs2="a5 a28" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a29" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a6 a40" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a6 a31" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a32" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a25" order="S"/>
                  <bond atomRefs2="a7 a38" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a10 a37" order="S"/>
                  <bond atomRefs2="a10 a35" order="S"/>
                  <bond atomRefs2="a10 a32" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a42" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a11 a22" order="S"/>
                  <bond atomRefs2="a12 a34" order="S"/>
                  <bond atomRefs2="a12 a30" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a21" order="S"/>
                  <bond atomRefs2="a12 a31" 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"/>
               </bondArray>
               <formula concise="H2Mo2O34SiW7"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2050.8250999999973</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2Mo.O4Si.30O.7W.2H/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rMo2O30W7.O4Si.2H/c3-1(4)18-33(6,7)25-35(10,11)21-2(5)22-36(12,13,26-35)28-37(14,15)27-34(8,9,19-1)30-39(17,24-2,31-37)32-38(16,20-1,23-2)29-33;1-5(2,3)4;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4;12;13,14,15,16,36;2;8;9;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;3;5;6;7;10;11;45;46/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1O1O1OO1OO1OO1OOO1OO1OO1OOOOOSiO1OOOO1O1O1O1H0H0/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;;;/rC:.5824,-2.988,-1.8693;-.1837,.1837,-5.5545;-.4634,3.107,1.701;2.988,-.5824,1.8693;.0841,-.0841,-3.5703;2.4405,2.6087,0;.0841,-.0841,3.5703;4.1114,3.7439,0;-.1837,.1837,5.5545;.5824,-2.988,1.8693;2.988,-.5824,-1.8693;-.4634,3.107,-1.701;.7185,-.7185,-1.437;-1.7347,-.2976,0;.2976,1.7347,0;.7185,-.7185,1.437;-1.2633,-2.8851,1.3116;.1166,1.7384,-2.9334;-1.7384,-.1166,2.9334;2.8851,1.2633,-1.3116;-2.1225,2.1225,-1.6218;3.2693,-.9757,0;-2.1225,2.1225,1.6218;.9757,-3.2693,0;.1166,1.7384,2.9334;-1.2633,-2.8851,-1.3116;2.8851,1.2633,1.3116;-1.7384,-.1166,-2.9334;2.0251,-.1198,-3.4922;-.9434,4.6111,-2.961;1.3969,3.5418,-1.3473;.1198,-2.0251,3.4922;2.4197,-2.4197,-2.145;-.903,3.9364,0;2.4197,-2.4197,2.145;;.6835,-4.871,2.5935;2.0251,-.1198,3.4922;.1198,-2.0251,-3.4922;1.3969,3.5418,1.3473;.6835,-4.871,-2.5935;4.871,-.6835,-2.5935;-.9434,4.6111,2.961;4.871,-.6835,2.5935;-2.6485,.5559,1.7251;-2.6485,.5559,-1.7251;/R:/0/N:12,4,21,30,44,23,43,2,28,9,19,17,37,26,41,8,42,34,18,31,38,35,27,22,25,32,39,24,40,29,33,20,3,5,7,10,1,6,11;13,14,15,16,36;45;46/E:(3,4)(6,7)(8,9)(10,11)(12,13)(14,15);(1,2,3,4);;/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1;1.1,2.1,3.1,4.1;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="4610" startLine="4608">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="4614" startLine="4612">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="4623" startLine="4616">
                     <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">Apr27-2024 16:09:14</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">Apr27-2024 16:09:13</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">Apr27-2024 16:09:12</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">Apr27-2024 16:09:11</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">Apr27-2024 16:09:10</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">-14.24157451</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.23284758</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">0.08813338</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">0.23284758</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08813338</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.25682537</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">0.05434499</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="0.561207"
                                 y3="-2.995753"
                                 z3="-1.87149"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.14977"
                                 y3="0.159992"
                                 z3="-5.424835"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.482571"
                                 y3="3.094289"
                                 z3="1.700962"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.956981"
                                 y3="-0.580824"
                                 z3="1.860716"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.064777"
                                 y3="-0.086303"
                                 z3="-3.56576"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.410622"
                                 y3="2.596694"
                                 z3="0.000076"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="0.06363"
                                 y3="-0.085953"
                                 z3="3.56491"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.968062"
                                 y3="3.643382"
                                 z3="-0.000694"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-0.150552"
                                 y3="0.159687"
                                 z3="5.424482"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.560999"
                                 y3="-2.994508"
                                 z3="1.869661"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.954714"
                                 y3="-0.581362"
                                 z3="-1.858845"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.483246"
                                 y3="3.094739"
                                 z3="-1.701118"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.675637"
                                 y3="-0.710745"
                                 z3="-1.408094"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.699805"
                                 y3="-0.263466"
                                 z3="0.000717"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.269804"
                                 y3="1.692251"
                                 z3="0.00226"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.67432"
                                 y3="-0.710841"
                                 z3="1.409199"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.207557"
                                 y3="-2.940369"
                                 z3="1.411692"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.108419"
                                 y3="1.734143"
                                 z3="-2.938741"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.705071"
                                 y3="-0.126393"
                                 z3="2.978262"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.851376"
                                 y3="1.259014"
                                 z3="-1.306058"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.097909"
                                 y3="2.167867"
                                 z3="-1.632766"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.23636"
                                 y3="-0.974934"
                                 z3="-0.004677"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.094224"
                                 y3="2.175017"
                                 z3="1.633239"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.969348"
                                 y3="-3.28173"
                                 z3="-0.000875"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.107696"
                                 y3="1.738197"
                                 z3="2.935871"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.20859"
                                 y3="-2.945443"
                                 z3="-1.415743"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.852187"
                                 y3="1.264848"
                                 z3="1.305223"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.705178"
                                 y3="-0.126882"
                                 z3="-2.978263"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="2.023685"
                                 y3="-0.112119"
                                 z3="-3.479294"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.907895"
                                 y3="4.522631"
                                 z3="-2.874796"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.401054"
                                 y3="3.531188"
                                 z3="-1.343084"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.124545"
                                 y3="-2.022282"
                                 z3="3.508439"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.427347"
                                 y3="-2.402618"
                                 z3="-2.135093"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.90863"
                                 y3="3.938589"
                                 z3="0.005349"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.425689"
                                 y3="-2.406145"
                                 z3="2.135544"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.063704"
                                 y3="-0.011611"
                                 z3="0.001979"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.703669"
                                 y3="-4.747623"
                                 z3="2.576179"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.020208"
                                 y3="-0.111017"
                                 z3="3.483301"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.124437"
                                 y3="-2.022101"
                                 z3="-3.509319"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.39576"
                                 y3="3.530959"
                                 z3="1.345788"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.703635"
                                 y3="-4.74743"
                                 z3="-2.57956"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.71008"
                                 y3="-0.663339"
                                 z3="-2.518001"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.904491"
                                 y3="4.516099"
                                 z3="2.867466"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.722229"
                                 y3="-0.663788"
                                 z3="2.524412"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.391675"
                                 y3="0.622166"
                                 z3="1.756037"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-2.395807"
                                 y3="0.614726"
                                 z3="-1.75466"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a35" 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 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.30O.7W.2H/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rMo2O30W7.O4Si.2H/c3-1(4)18-33(6,7)25-35(10,11)21-2(5)22-36(12,13,26-35)28-37(14,15)27-34(8,9,19-1)30-39(17,24-2,31-37)32-38(16,20-1,23-2)29-33;1-5(2,3)4;;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4;12;13,14,15,16,36;2;8;9;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;3;5;6;7;10;11;45;46/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1O1O1OO1OO1OO1OOO1OO1OO1OOOOOSiO1OOOO1O1O1O1H0H0/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;;;/rC:.5612,-2.9958,-1.8715;-.1498,.16,-5.4248;-.4826,3.0943,1.701;2.957,-.5808,1.8607;.0648,-.0863,-3.5658;2.4106,2.5967,.0001;.0636,-.086,3.5649;3.9681,3.6434,-.0007;-.1506,.1597,5.4245;.561,-2.9945,1.8697;2.9547,-.5814,-1.8588;-.4832,3.0947,-1.7011;.6756,-.7107,-1.4081;-1.6998,-.2635,.0007;.2698,1.6923,.0023;.6743,-.7108,1.4092;-1.2076,-2.9404,1.4117;.1084,1.7341,-2.9387;-1.7051,-.1264,2.9783;2.8514,1.259,-1.3061;-2.0979,2.1679,-1.6328;3.2364,-.9749,-.0047;-2.0942,2.175,1.6332;.9693,-3.2817,-.0009;.1077,1.7382,2.9359;-1.2086,-2.9454,-1.4157;2.8522,1.2648,1.3052;-1.7052,-.1269,-2.9783;2.0237,-.1121,-3.4793;-.9079,4.5226,-2.8748;1.4011,3.5312,-1.3431;.1245,-2.0223,3.5084;2.4273,-2.4026,-2.1351;-.9086,3.9386,.0053;2.4257,-2.4061,2.1355;-.0637,-.0116,.002;.7037,-4.7476,2.5762;2.0202,-.111,3.4833;.1244,-2.0221,-3.5093;1.3958,3.531,1.3458;.7036,-4.7474,-2.5796;4.7101,-.6633,-2.518;-.9045,4.5161,2.8675;4.7222,-.6638,2.5244;-2.3917,.6222,1.756;-2.3958,.6147,-1.7547;/R:/0/N:12,4,21,30,44,23,43,2,28,9,19,17,37,26,41,8,42,34,18,31,38,35,27,22,25,32,39,24,40,29,33,20,3,5,7,10,1,6,11;13,14,15,16,36;45;46/E:(3,4)(6,7)(8,9)(10,11)(12,13)(14,15);(1,2,3,4);;/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1;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">-14.57561095</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.15649129</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">0.05906858</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">0.15649129</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05906858</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.31036166</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">0.07257608</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="0.514434"
                                 y3="-2.999318"
                                 z3="-1.857354"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.132168"
                                 y3="0.140427"
                                 z3="-5.202894"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.508105"
                                 y3="3.051216"
                                 z3="1.697551"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.932684"
                                 y3="-0.589409"
                                 z3="1.869353"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.032674"
                                 y3="-0.078238"
                                 z3="-3.537115"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.385872"
                                 y3="2.602248"
                                 z3="-0.000436"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="0.03043"
                                 y3="-0.07854"
                                 z3="3.534857"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.769068"
                                 y3="3.530139"
                                 z3="-0.001962"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-0.131465"
                                 y3="0.13871"
                                 z3="5.201413"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.515289"
                                 y3="-2.997335"
                                 z3="1.853842"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.92606"
                                 y3="-0.591648"
                                 z3="-1.86394"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.508215"
                                 y3="3.054486"
                                 z3="-1.701669"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.634754"
                                 y3="-0.686437"
                                 z3="-1.353545"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.652566"
                                 y3="-0.158526"
                                 z3="0.001129"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.263181"
                                 y3="1.623934"
                                 z3="0.004079"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.631421"
                                 y3="-0.687637"
                                 z3="1.356216"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.157101"
                                 y3="-2.99236"
                                 z3="1.473804"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.125213"
                                 y3="1.740268"
                                 z3="-2.948556"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.684158"
                                 y3="-0.09879"
                                 z3="2.939256"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.825078"
                                 y3="1.261606"
                                 z3="-1.308699"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.057018"
                                 y3="2.135252"
                                 z3="-1.636637"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.21016"
                                 y3="-0.982801"
                                 z3="-0.005924"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.063856"
                                 y3="2.141332"
                                 z3="1.636128"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.987912"
                                 y3="-3.305702"
                                 z3="-0.001569"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.122817"
                                 y3="1.745295"
                                 z3="2.942197"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.15616"
                                 y3="-2.992282"
                                 z3="-1.473542"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.826486"
                                 y3="1.270183"
                                 z3="1.306932"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.684441"
                                 y3="-0.0960"
                                 z3="-2.939644"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="2.02846"
                                 y3="-0.09808"
                                 z3="-3.479131"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.866293"
                                 y3="4.348059"
                                 z3="-2.73813"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.408955"
                                 y3="3.533453"
                                 z3="-1.346173"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.136208"
                                 y3="-2.010981"
                                 z3="3.527983"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.441089"
                                 y3="-2.393321"
                                 z3="-2.137673"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.915159"
                                 y3="3.931611"
                                 z3="0.00762"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.440374"
                                 y3="-2.394854"
                                 z3="2.136365"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.119124"
                                 y3="-0.010509"
                                 z3="0.003811"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.725645"
                                 y3="-4.555454"
                                 z3="2.524429"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.02378"
                                 y3="-0.09543"
                                 z3="3.483889"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.131656"
                                 y3="-2.009532"
                                 z3="-3.528456"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.399358"
                                 y3="3.533077"
                                 z3="1.349833"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.720752"
                                 y3="-4.555708"
                                 z3="-2.529912"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.490128"
                                 y3="-0.654263"
                                 z3="-2.438525"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.864395"
                                 y3="4.338091"
                                 z3="2.727972"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.505187"
                                 y3="-0.652523"
                                 z3="2.447841"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.087656"
                                 y3="0.698444"
                                 z3="1.783913"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-2.085445"
                                 y3="0.688747"
                                 z3="-1.778926"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.30O.7W.2H/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rMo2O30W7.O4Si.2H/c3-1(4)18-33(6,7)25-35(10,11)21-2(5)22-36(12,13,26-35)28-37(14,15)27-34(8,9,19-1)30-39(17,24-2,31-37)32-38(16,20-1,23-2)29-33;1-5(2,3)4;;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4;12;13,14,15,16,36;2;8;9;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;3;5;6;7;10;11;45;46/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1O1O1OO1OO1OO1OOO1OO1OO1OOOOOSiO1OOOO1O1O1O1H0H0/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;;;/rC:.5144,-2.9993,-1.8574;-.1322,.1404,-5.2029;-.5081,3.0512,1.6976;2.9327,-.5894,1.8694;.0327,-.0782,-3.5371;2.3859,2.6022,-.0004;.0304,-.0785,3.5349;3.7691,3.5301,-.002;-.1315,.1387,5.2014;.5153,-2.9973,1.8538;2.9261,-.5916,-1.8639;-.5082,3.0545,-1.7017;.6348,-.6864,-1.3535;-1.6526,-.1585,.0011;.2632,1.6239,.0041;.6314,-.6876,1.3562;-1.1571,-2.9924,1.4738;.1252,1.7403,-2.9486;-1.6842,-.0988,2.9393;2.8251,1.2616,-1.3087;-2.057,2.1353,-1.6366;3.2102,-.9828,-.0059;-2.0639,2.1413,1.6361;.9879,-3.3057,-.0016;.1228,1.7453,2.9422;-1.1562,-2.9923,-1.4735;2.8265,1.2702,1.3069;-1.6844,-.096,-2.9396;2.0285,-.0981,-3.4791;-.8663,4.3481,-2.7381;1.409,3.5335,-1.3462;.1362,-2.011,3.528;2.4411,-2.3933,-2.1377;-.9152,3.9316,.0076;2.4404,-2.3949,2.1364;-.1191,-.0105,.0038;.7256,-4.5555,2.5244;2.0238,-.0954,3.4839;.1317,-2.0095,-3.5285;1.3994,3.5331,1.3498;.7208,-4.5557,-2.5299;4.4901,-.6543,-2.4385;-.8644,4.3381,2.728;4.5052,-.6525,2.4478;-2.0877,.6984,1.7839;-2.0854,.6887,-1.7789;/R:/0/N:12,4,21,30,44,23,43,2,28,9,19,17,37,26,41,8,42,34,18,31,38,35,27,22,25,32,39,24,40,29,33,20,3,5,7,10,1,6,11;13,14,15,16,36;45;46/E:(3,4)(6,7)(8,9)(10,11)(12,13)(14,15);(1,2,3,4);;/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1;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">-14.68020379</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.18473375</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">0.05952506</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">0.18473375</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05952506</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10214111</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">0.02637314</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="0.50925"
                                 y3="-3.005201"
                                 z3="-1.859348"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.150669"
                                 y3="0.149035"
                                 z3="-5.293089"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.511609"
                                 y3="3.056749"
                                 z3="1.697233"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.934946"
                                 y3="-0.591595"
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                                 z3="-2.783081"/>
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                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
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                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
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                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
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                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
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                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
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                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
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                           <bond atomRefs2="a13 a36" order="S"/>
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                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.30O.7W.2H/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rMo2O30W7.O4Si.2H/c3-1(4)18-33(6,7)25-35(10,11)21-2(5)22-36(12,13,26-35)28-37(14,15)27-34(8,9,19-1)30-39(17,24-2,31-37)32-38(16,20-1,23-2)29-33;1-5(2,3)4;;">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <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">-14.75521056</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05791277</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">0.01733697</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">0.05791277</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01733697</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.08367107</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">0.01765590</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>
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                                 x3="-1.999839"
                                 y3="0.740633"
                                 z3="1.815813"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.994778"
                                 y3="0.721623"
                                 z3="-1.81131"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.30O.7W.2H/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rMo2O30W7.O4Si.2H/c3-1(4)18-33(6,7)25-35(10,11)21-2(5)22-36(12,13,26-35)28-37(14,15)27-34(8,9,19-1)30-39(17,24-2,31-37)32-38(16,20-1,23-2)29-33;1-5(2,3)4;;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4;12;13,14,15,16,36;2;8;9;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;3;5;6;7;10;11;45;46/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1O1O1OO1OO1OO1OOO1OO1OO1OOOOOSiO1OOOO1O1O1O1H0H0/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;;;/rC:.4883,-3.009,-1.8526;-.1704,.1496,-5.259;-.5179,3.0429,1.6956;2.9331,-.596,1.8857;.0168,-.0854,-3.5286;2.3859,2.6181,-.0021;.0136,-.0865,3.5251;3.8478,3.5861,-.0045;-.172,.1476,5.2561;.4909,-3.0061,1.8476;2.9235,-.5996,-1.8751;-.5217,3.0468,-1.7008;.6303,-.6892,-1.3443;-1.7166,-.1288,-.0005;.2765,1.6186,.0052;.6262,-.691,1.3474;-1.2328,-3.024,1.4845;.1499,1.749,-2.9557;-1.7115,-.083,2.8787;2.8283,1.2685,-1.3142;-2.0689,2.0778,-1.6282;3.213,-.9806,-.0038;-2.0773,2.086,1.6294;1.0004,-3.3144,-.0023;.1482,1.7529,2.9493;-1.2345,-3.0229,-1.4861;2.8301,1.277,1.3114;-1.7112,-.0783,-2.8823;2.0265,-.0929,-3.4953;-.898,4.379,-2.7674;1.4068,3.5561,-1.354;.1495,-2.0214,3.5447;2.4421,-2.405,-2.1485;-.9195,3.9471,.0084;2.4434,-2.4032,2.1477;-.1356,-.0136,.0038;.7615,-4.6104,2.5352;2.0221,-.089,3.5013;.1422,-2.0195,-3.5456;1.3987,3.556,1.3547;.752,-4.6126,-2.543;4.5716,-.6513,-2.4709;-.8973,4.3787,2.7709;4.5722,-.6454,2.4774;-1.9998,.7406,1.8158;-1.9948,.7216,-1.8113;/R:/0/N:12,4,21,30,44,23,43,2,28,9,19,17,37,26,41,8,42,34,18,31,38,35,27,22,25,32,39,24,40,29,33,20,3,5,7,10,1,6,11;13,14,15,16,36;45;46/E:(3,4)(6,7)(8,9)(10,11)(12,13)(14,15);(1,2,3,4);;/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1;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">-14.77600326</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04565958</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">0.01297695</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">0.04565958</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01297695</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09198091</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">0.02549266</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="0.455958"
                                 y3="-3.017509"
                                 z3="-1.843741"/>
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                                 x3="-0.220853"
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                                 z3="-5.23184"/>
                           <atom elementType="W"
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                                 x3="-0.522919"
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                                 z3="1.694091"/>
                           <atom elementType="Mo"
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                                 x3="2.933716"
                                 y3="-0.601207"
                                 z3="1.90078"/>
                           <atom elementType="W"
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                                 z3="-3.510824"/>
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                                 id="a6"
                                 x3="2.390001"
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                                 z3="-0.003881"/>
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                                 x3="-0.006547"
                                 y3="-0.090619"
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                                 x3="3.857003"
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                                 x3="-0.225045"
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                                 x3="0.45784"
                                 y3="-3.013625"
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                           <atom elementType="W"
                                 id="a11"
                                 x3="2.921504"
                                 y3="-0.605791"
                                 z3="-1.884144"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.532471"
                                 y3="3.033482"
                                 z3="-1.700235"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.626059"
                                 y3="-0.692349"
                                 z3="-1.331624"/>
                           <atom elementType="O"
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                                 x3="-1.743492"
                                 y3="-0.086946"
                                 z3="-0.005337"/>
                           <atom elementType="O"
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                                 x3="0.299949"
                                 y3="1.613019"
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                           <atom elementType="O"
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                                 x3="0.617343"
                                 y3="-0.695494"
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                           <atom elementType="O"
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                                 z3="1.494596"/>
                           <atom elementType="O"
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                                 x3="-1.70692"
                                 y3="-0.034857"
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                           <atom elementType="O"
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                                 y3="1.274517"
                                 z3="-1.315146"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.044603"
                                 y3="2.002082"
                                 z3="-1.640179"/>
                           <atom elementType="O"
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                                 x3="3.216924"
                                 y3="-0.973184"
                                 z3="-0.003189"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.050322"
                                 y3="2.009435"
                                 z3="1.641525"/>
                           <atom elementType="O"
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                                 x3="1.01352"
                                 y3="-3.312529"
                                 z3="-0.002667"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.190632"
                                 y3="1.759793"
                                 z3="2.949264"/>
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                           <atom elementType="O"
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                                 y3="1.283275"
                                 z3="1.310426"/>
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                                 x3="-1.70456"
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                                 z3="-2.797569"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="2.023935"
                                 y3="-0.085397"
                                 z3="-3.502631"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.931504"
                                 y3="4.360659"
                                 z3="-2.764348"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.409693"
                                 y3="3.575372"
                                 z3="-1.354093"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.147025"
                                 y3="-2.023485"
                                 z3="3.549535"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.443461"
                                 y3="-2.404696"
                                 z3="-2.159767"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.932588"
                                 y3="3.945629"
                                 z3="0.011423"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.445043"
                                 y3="-2.400205"
                                 z3="2.159353"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.158951"
                                 y3="-0.018088"
                                 z3="0.002735"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.781151"
                                 y3="-4.607102"
                                 z3="2.51433"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.018999"
                                 y3="-0.080846"
                                 z3="3.510912"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.139362"
                                 y3="-2.021033"
                                 z3="-3.550655"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.402126"
                                 y3="3.574818"
                                 z3="1.352759"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.767573"
                                 y3="-4.61148"
                                 z3="-2.522596"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.569212"
                                 y3="-0.639751"
                                 z3="-2.469148"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.924678"
                                 y3="4.350242"
                                 z3="2.770897"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.578882"
                                 y3="-0.630068"
                                 z3="2.48021"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-1.912452"
                                 y3="0.792447"
                                 z3="1.858527"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.902797"
                                 y3="0.762424"
                                 z3="-1.856759"/>
                        </atomArray>
                        <bondArray>
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                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a19 a45" order="S"/>
                           <bond atomRefs2="a21 a46" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2HO2.26O.7W/c;;1-5(2,3)4;2*1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;+1;;2*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/rH2Mo2O30W7.O4Si/c3-1-14-33(5,6)22-34(7,8)24-36(10,16-1)26-35(9,15-1)18-2(4,19-38(12,25-34,28-36)30-40-21-2)20-39(13,27-35)29-37(11,17-1,23-33)31-41-32-39;1-5(2,3)4">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4;12;13,14,15,16,36;19,23,45;21,28,46;2;8;9;17;18;20;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;10;11;3;5;7/E:;;(1,2,3,4);2*(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4.1;2*1-1,2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1O1O1OOOOOOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H2/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s19s23;s21s28;/rC:.456,-3.0175,-1.8437;-.2209,.1559,-5.2318;-.5229,3.0268,1.6941;2.9337,-.6012,1.9008;-.0008,-.0883,-3.5108;2.39,2.6304,-.0039;-.0065,-.0906,3.506;3.857,3.5841,-.0074;-.225,.1539,5.2279;.4578,-3.0136,1.8376;2.9215,-.6058,-1.8841;-.5325,3.0335,-1.7002;.6261,-.6923,-1.3316;-1.7435,-.0869,-.0053;.2999,1.613,.007;.6173,-.6955,1.3353;-1.2662,-3.0723,1.4946;.1909,1.7579,-2.9565;-1.7069,-.0349,2.7946;2.8333,1.2745,-1.3151;-2.0446,2.0021,-1.6402;3.2169,-.9732,-.0032;-2.0503,2.0094,1.6415;1.0135,-3.3125,-.0027;.1906,1.7598,2.9493;-1.2669,-3.0671,-1.4953;2.8352,1.2833,1.3104;-1.7046,-.0311,-2.7976;2.0239,-.0854,-3.5026;-.9315,4.3607,-2.7643;1.4097,3.5754,-1.3541;.147,-2.0235,3.5495;2.4435,-2.4047,-2.1598;-.9326,3.9456,.0114;2.445,-2.4002,2.1594;-.159,-.0181,.0027;.7812,-4.6071,2.5143;2.019,-.0808,3.5109;.1394,-2.021,-3.5507;1.4021,3.5748,1.3528;.7676,-4.6115,-2.5226;4.5692,-.6398,-2.4691;-.9247,4.3502,2.7709;4.5789,-.6301,2.4802;-1.9125,.7924,1.8585;-1.9028,.7624,-1.8568;/R:/0/N:4,12,44,30,17,37,26,41,8,42,9,2,43,35,27,22,38,31,18,34,21,24,32,33,39,20,40,29,25,28,19,23,10,1,6,11,7,5,3,46,45;13,14,15,16,36/E:(5,6)(7,8);(1,2,3,4)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,40.2,41.2;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">-14.79154807</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02982774</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">0.01004823</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">0.02982774</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01004823</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03242808</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">0.00762736</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="0.452687"
                                 y3="-3.023192"
                                 z3="-1.844624"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.234747"
                                 y3="0.151298"
                                 z3="-5.242318"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.522808"
                                 y3="3.035598"
                                 z3="1.693914"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.936652"
                                 y3="-0.601881"
                                 z3="1.90281"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="-0.000429"
                                 y3="-0.094591"
                                 z3="-3.513286"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.389876"
                                 y3="2.626683"
                                 z3="-0.004745"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.007946"
                                 y3="-0.097659"
                                 z3="3.508512"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.872796"
                                 y3="3.578546"
                                 z3="-0.008408"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-0.239634"
                                 y3="0.148779"
                                 z3="5.238698"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.453241"
                                 y3="-3.018725"
                                 z3="1.838096"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.924485"
                                 y3="-0.607034"
                                 z3="-1.884081"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.535367"
                                 y3="3.04344"
                                 z3="-1.700409"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.627081"
                                 y3="-0.698922"
                                 z3="-1.335864"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.749842"
                                 y3="-0.098574"
                                 z3="-0.007865"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.2992"
                                 y3="1.620379"
                                 z3="0.007542"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.615361"
                                 y3="-0.702584"
                                 z3="1.339953"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.275274"
                                 y3="-3.093027"
                                 z3="1.502391"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.195161"
                                 y3="1.76016"
                                 z3="-2.956046"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.706444"
                                 y3="-0.037914"
                                 z3="2.797353"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.834791"
                                 y3="1.273702"
                                 z3="-1.314342"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.048979"
                                 y3="2.012878"
                                 z3="-1.64576"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.221851"
                                 y3="-0.968958"
                                 z3="-0.002748"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.053537"
                                 y3="2.018023"
                                 z3="1.646507"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.01022"
                                 y3="-3.307595"
                                 z3="-0.002552"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.196217"
                                 y3="1.760706"
                                 z3="2.948821"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.274969"
                                 y3="-3.086909"
                                 z3="-1.502692"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.836586"
                                 y3="1.282326"
                                 z3="1.30881"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.703069"
                                 y3="-0.03398"
                                 z3="-2.797297"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="2.023756"
                                 y3="-0.085868"
                                 z3="-3.501856"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.941626"
                                 y3="4.378086"
                                 z3="-2.768605"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.409985"
                                 y3="3.577459"
                                 z3="-1.353069"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.149354"
                                 y3="-2.028895"
                                 z3="3.550795"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.446331"
                                 y3="-2.403749"
                                 z3="-2.161633"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.933006"
                                 y3="3.954318"
                                 z3="0.012095"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.447591"
                                 y3="-2.39756"
                                 z3="2.160845"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.16614"
                                 y3="-0.021779"
                                 z3="0.002075"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.790599"
                                 y3="-4.618667"
                                 z3="2.514639"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.01888"
                                 y3="-0.081359"
                                 z3="3.510296"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.142501"
                                 y3="-2.025925"
                                 z3="-3.551936"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.403404"
                                 y3="3.576946"
                                 z3="1.350931"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.775726"
                                 y3="-4.624598"
                                 z3="-2.522694"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.584156"
                                 y3="-0.634898"
                                 z3="-2.470087"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.931609"
                                 y3="4.365445"
                                 z3="2.776898"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.593189"
                                 y3="-0.623131"
                                 z3="2.480693"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-1.912687"
                                 y3="0.813985"
                                 z3="1.889426"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.901763"
                                 y3="0.780117"
                                 z3="-1.889187"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a19 a45" order="S"/>
                           <bond atomRefs2="a21 a46" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2HO2.26O.7W/c;;1-5(2,3)4;2*1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;+1;;2*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/rH2Mo2O30W7.O4Si/c3-1-14-33(5,6)22-34(7,8)24-36(10,16-1)26-35(9,15-1)18-2(4,19-38(12,25-34,28-36)30-40-21-2)20-39(13,27-35)29-37(11,17-1,23-33)31-41-32-39;1-5(2,3)4">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4;12;13,14,15,16,36;19,23,45;21,28,46;2;8;9;17;18;20;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;10;11;3;5;7/E:;;(1,2,3,4);2*(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4.1;2*1-1,2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1O1O1OOOOOOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H2/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s19s23;s21s28;/rC:.4527,-3.0232,-1.8446;-.2347,.1513,-5.2423;-.5228,3.0356,1.6939;2.9367,-.6019,1.9028;-.0004,-.0946,-3.5133;2.3899,2.6267,-.0047;-.0079,-.0977,3.5085;3.8728,3.5785,-.0084;-.2396,.1488,5.2387;.4532,-3.0187,1.8381;2.9245,-.607,-1.8841;-.5354,3.0434,-1.7004;.6271,-.6989,-1.3359;-1.7498,-.0986,-.0079;.2992,1.6204,.0075;.6154,-.7026,1.34;-1.2753,-3.093,1.5024;.1952,1.7602,-2.956;-1.7064,-.0379,2.7974;2.8348,1.2737,-1.3143;-2.049,2.0129,-1.6458;3.2219,-.969,-.0027;-2.0535,2.018,1.6465;1.0102,-3.3076,-.0026;.1962,1.7607,2.9488;-1.275,-3.0869,-1.5027;2.8366,1.2823,1.3088;-1.7031,-.034,-2.7973;2.0238,-.0859,-3.5019;-.9416,4.3781,-2.7686;1.41,3.5775,-1.3531;.1494,-2.0289,3.5508;2.4463,-2.4037,-2.1616;-.933,3.9543,.0121;2.4476,-2.3976,2.1608;-.1661,-.0218,.0021;.7906,-4.6187,2.5146;2.0189,-.0814,3.5103;.1425,-2.0259,-3.5519;1.4034,3.5769,1.3509;.7757,-4.6246,-2.5227;4.5842,-.6349,-2.4701;-.9316,4.3654,2.7769;4.5932,-.6231,2.4807;-1.9127,.814,1.8894;-1.9018,.7801,-1.8892;/R:/0/N:4,12,44,30,17,37,26,41,8,42,9,2,43,35,27,22,38,31,18,34,21,24,32,33,39,20,40,29,25,28,19,23,10,1,6,11,7,5,3,46,45;13,14,15,16,36/E:(5,6)(7,8);(1,2,3,4)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,40.2,41.2;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">7</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">7</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-14.79651857</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02357116</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">0.00602865</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">0.02357116</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00602865</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05355245</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">0.01105727</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="0.44746"
                                 y3="-3.028783"
                                 z3="-1.847128"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.244205"
                                 y3="0.145466"
                                 z3="-5.259207"/>
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                                 id="a3"
                                 x3="-0.522768"
                                 y3="3.047291"
                                 z3="1.694537"/>
                           <atom elementType="Mo"
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                                 x3="2.942594"
                                 y3="-0.603484"
                                 z3="1.904243"/>
                           <atom elementType="W"
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                                 y3="-2.03385"
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                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
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                           <bond atomRefs2="a5 a18" order="S"/>
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                           <bond atomRefs2="a6 a40" order="S"/>
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                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
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                           <bond atomRefs2="a7 a19" order="S"/>
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                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
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                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a19 a45" order="S"/>
                           <bond atomRefs2="a21 a46" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2HO2.26O.7W/c;;1-5(2,3)4;2*1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;+1;;2*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/rH2Mo2O30W7.O4Si/c3-1-14-33(5,6)22-34(7,8)24-36(10,16-1)26-35(9,15-1)18-2(4,19-38(12,25-34,28-36)30-40-21-2)20-39(13,27-35)29-37(11,17-1,23-33)31-41-32-39;1-5(2,3)4">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4;12;13,14,15,16,36;19,23,45;21,28,46;2;8;9;17;18;20;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;10;11;3;5;7/E:;;(1,2,3,4);2*(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4.1;2*1-1,2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1O1O1OOOOOOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H2/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s19s23;s21s28;/rC:.4475,-3.0288,-1.8471;-.2442,.1455,-5.2592;-.5228,3.0473,1.6945;2.9426,-.6035,1.9042;.0049,-.1009,-3.5199;2.3881,2.6186,-.006;-.0057,-.1051,3.515;3.8898,3.5703,-.01;-.2505,.1421,5.256;.4456,-3.0231,1.8398;2.9306,-.6096,-1.8823;-.5406,3.0565,-1.7008;.6297,-.7074,-1.3435;-1.7512,-.1273,-.0112;.296,1.6295,.0087;.6132,-.7116,1.3482;-1.2882,-3.1175,1.5156;.2004,1.7638,-2.9557;-1.7056,-.0386,2.8161;2.8373,1.2716,-1.3132;-2.0591,2.0287,-1.6585;3.2302,-.9642,-.0022;-2.061,2.032,1.6601;.9989,-3.297,-.0024;.2038,1.7627,2.9488;-1.2859,-3.1103,-1.5159;2.839,1.28,1.3063;-1.7002,-.0344,-2.8127;2.0261,-.0873,-3.4992;-.9561,4.4011,-2.7724;1.407,3.5779,-1.3506;.1521,-2.0339,3.5524;2.45,-2.4023,-2.1626;-.9376,3.9612,.0134;2.4507,-2.3935,2.1612;-.1735,-.0278,.0008;.8006,-4.6308,2.5157;2.0214,-.0829,3.5078;.1468,-2.0301,-3.5538;1.4025,3.5776,1.3477;.7847,-4.6393,-2.5237;4.6052,-.6311,-2.4701;-.9398,4.3859,2.7838;4.6134,-.6162,2.48;-1.9187,.8433,1.9395;-1.9055,.8,-1.9427;/R:/0/N:4,12,44,30,17,37,26,41,8,42,9,2,43,35,27,22,38,31,18,34,21,24,32,33,39,20,40,29,25,28,19,23,10,1,6,11,7,5,3,46,45;13,14,15,16,36/E:(5,6)(7,8);(1,2,3,4)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,40.2,41.2;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">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">-14.80053446</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02200914</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">0.00658256</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">0.02200914</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00658256</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07899226</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">0.01327782</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>
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                                 y3="-0.606873"
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                                 y3="2.607161"
                                 z3="-0.007591"/>
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                                 y3="-0.107446"
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                                 z3="-0.011789"/>
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                                 x3="0.791795"
                                 y3="-4.639793"
                                 z3="-2.51871"/>
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                                 x3="4.61894"
                                 y3="-0.632265"
                                 z3="-2.467526"/>
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                                 x3="-0.945375"
                                 y3="4.392277"
                                 z3="2.78303"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.62828"
                                 y3="-0.612496"
                                 z3="2.476676"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-1.919829"
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                                 z3="2.012923"/>
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                                 id="a46"
                                 x3="-1.901551"
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                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a19 a45" order="S"/>
                           <bond atomRefs2="a21 a46" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2HO2.26O.7W/c;;1-5(2,3)4;2*1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;+1;-1;2*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/rH2Mo2O34SiW7/c3-1-17-38(8,9)26-39(10,11)28-40(12,18-1)30-42(14,29-39)20-2(4,24-45-34-42)21-43(15,31-41(13,19-1,27-38)35-46-36-43)33-44(16,22-1,23-2,32-40)25-37(5,6)7">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4;12;13,14,15,16,36;19,23,45;21,28,46;2;8;9;17;18;20;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;10;11;3;5;6;7/E:;;(1,2,3,4);2*(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4.1;2*1-1,2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1OO1O1OOOOOOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H2/rB:;;;s2;;;s6;s7;;;;;;s6;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s19s23;s21s28;/rC:.4342,-3.0294,-1.8491;-.2382,.141,-5.2691;-.5239,3.0503,1.696;2.9517,-.6069,1.9062;.0162,-.1016,-3.5275;2.3836,2.6072,-.0076;.0008,-.1074,3.5222;3.8902,3.562,-.0118;-.2463,.1361,5.2665;.4298,-3.0217,1.8408;2.9392,-.6149,-1.8795;-.5486,3.062,-1.7022;.6324,-.7137,-1.3491;-1.7511,-.1643,-.0157;.2927,1.6305,.0102;.6092,-.718,1.3552;-1.3046,-3.139,1.5343;.2106,1.769,-2.9563;-1.7028,-.0291,2.8435;2.8403,1.2693,-1.3135;-2.0674,2.0329,-1.6798;3.2414,-.9606,-.002;-2.0666,2.0323,1.6829;.9784,-3.2783,-.0024;.2152,1.7658,2.9491;-1.3004,-3.1298,-1.5343;2.842,1.2776,1.3045;-1.6941,-.0231,-2.8358;2.0328,-.0871,-3.4961;-.9697,4.4113,-2.7681;1.399,3.5758,-1.3474;.1541,-2.0336,3.5549;2.4531,-2.4011,-2.1623;-.9509,3.9541,.0154;2.4546,-2.3887,2.16;-.1818,-.0364,-.0013;.8101,-4.6276,2.5107;2.0288,-.082,3.5051;.149,-2.0284,-3.5559;1.3965,3.5754,1.3447;.7918,-4.6398,-2.5187;4.6189,-.6323,-2.4675;-.9454,4.3923,2.783;4.6283,-.6125,2.4767;-1.9198,.8814,2.0129;-1.9016,.8224,-2.0217;/R:/0/N:4,12,44,30,13,14,16,17,37,26,41,42,9,2,43,8,35,22,38,18,34,27,31,21,15,24,32,33,39,29,25,20,40,28,19,23,36,10,1,11,7,5,3,6,46,45/E:(5,6,7)(8,9)(10,11)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,45.2,46.2</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">-14.80459046</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02286345</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">0.00751186</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">0.02286345</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00751186</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.19581066</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">0.03427548</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">
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                                 x3="2.96142"
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                                 x3="-0.566256"
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                                 z3="-1.737508"/>
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                                 z3="1.74533"/>
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                                 x3="-0.981041"
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                           <atom elementType="O"
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                                 x3="1.372351"
                                 y3="3.56362"
                                 z3="-1.339325"/>
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                                 id="a32"
                                 x3="0.160286"
                                 y3="-2.028575"
                                 z3="3.560665"/>
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                                 id="a33"
                                 x3="2.459269"
                                 y3="-2.401344"
                                 z3="-2.15739"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.985348"
                                 y3="3.923786"
                                 z3="0.01935"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.467132"
                                 y3="-2.380401"
                                 z3="2.152799"/>
                           <atom elementType="Si"
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                                 x3="-0.19423"
                                 y3="-0.057393"
                                 z3="-0.005791"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.830468"
                                 y3="-4.606083"
                                 z3="2.497204"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.052698"
                                 y3="-0.080191"
                                 z3="3.499569"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.151254"
                                 y3="-2.01801"
                                 z3="-3.559801"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.374565"
                                 y3="3.563488"
                                 z3="1.339019"/>
                           <atom elementType="O"
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                                 x3="0.803151"
                                 y3="-4.626903"
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                                 x3="4.64049"
                                 y3="-0.646261"
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                           <atom elementType="O"
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                                 x3="-0.941044"
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                                 z3="2.773754"/>
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                                 x3="4.655697"
                                 y3="-0.613455"
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                                 id="a45"
                                 x3="-1.931242"
                                 y3="0.971259"
                                 z3="2.190744"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.903433"
                                 y3="0.869547"
                                 z3="-2.217542"/>
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                           <bond atomRefs2="a1 a26" order="S"/>
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                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a19 a45" order="S"/>
                           <bond atomRefs2="a21 a46" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2HO2.26O.7W/c;;1-5(2,3)4;2*1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;+1;-1;2*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/rH2Mo2O34SiW7/c3-1-17-38(8,9)26-39(10,11)28-40(12,18-1)30-42(14,29-39)20-2(4,24-45-34-42)21-43(15,31-41(13,19-1,27-38)35-46-36-43)33-44(16,22-1,23-2,32-40)25-37(5,6)7">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4;12;13,14,15,16,36;19,23,45;21,28,46;2;8;9;17;18;20;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;10;11;3;5;6;7/E:;;(1,2,3,4);2*(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4.1;2*1-1,2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1OO1O1OOOOOOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H2/rB:;;;s2;;;s6;s7;;;;;;s6;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s19s23;s21s28;/rC:.4032,-3.0214,-1.8553;-.1847,.1292,-5.2949;-.526,3.0522,1.7013;2.9765,-.6161,1.9094;.0548,-.0952,-3.5513;2.3668,2.5752,-.011;.0263,-.1062,3.5457;3.8624,3.5492,-.0152;-.1968,.1194,5.2945;.3965,-3.0088,1.8446;2.9614,-.6305,-1.869;-.5663,3.0694,-1.7083;.6379,-.7243,-1.3608;-1.7379,-.275,-.0265;.2744,1.621,.0136;.5994,-.7277,1.3725;-1.3352,-3.1725,1.5778;.2208,1.7784,-2.9609;-1.7008,-.0154,2.9373;2.8436,1.2618,-1.3167;-2.0954,2.0556,-1.7375;3.2678,-.9565,-.0011;-2.0901,2.0428,1.7453;.9174,-3.2294,-.0029;.2242,1.7707,2.9528;-1.3319,-3.1567,-1.579;2.8454,1.271,1.3031;-1.6869,-.0007,-2.9209;2.0539,-.0878,-3.4883;-.981,4.4315,-2.7549;1.3724,3.5636,-1.3393;.1603,-2.0286,3.5607;2.4593,-2.4013,-2.1574;-.9853,3.9238,.0193;2.4671,-2.3804,2.1528;-.1942,-.0574,-.0058;.8305,-4.6061,2.4972;2.0527,-.0802,3.4996;.1513,-2.018,-3.5598;1.3746,3.5635,1.339;.8032,-4.6269,-2.5068;4.6405,-.6463,-2.4599;-.941,4.4046,2.7738;4.6557,-.6135,2.4702;-1.9312,.9713,2.1907;-1.9034,.8695,-2.2175;/R:/0/N:4,12,44,30,13,14,16,17,37,26,41,42,9,2,43,8,35,22,38,18,34,27,31,21,15,24,32,33,39,29,25,20,40,28,19,23,36,10,1,11,7,5,3,6,46,45/E:(5,6,7)(8,9)(10,11)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,45.2,46.2</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">-14.81195119</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02467422</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">0.00767795</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">0.02467422</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00767795</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03338982</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">0.00824789</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="0.398571"
                                 y3="-3.014384"
                                 z3="-1.857293"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.1529"
                                 y3="0.130883"
                                 z3="-5.301591"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.525382"
                                 y3="3.04895"
                                 z3="1.702981"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.978982"
                                 y3="-0.618623"
                                 z3="1.910751"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.06555"
                                 y3="-0.089276"
                                 z3="-3.559157"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.362338"
                                 y3="2.571575"
                                 z3="-0.011792"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="0.034034"
                                 y3="-0.101532"
                                 z3="3.554227"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.844654"
                                 y3="3.553517"
                                 z3="-0.015758"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-0.163407"
                                 y3="0.119882"
                                 z3="5.302429"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.390428"
                                 y3="-3.001679"
                                 z3="1.847041"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.963969"
                                 y3="-0.633039"
                                 z3="-1.8681"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.568361"
                                 y3="3.066418"
                                 z3="-1.710707"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.636812"
                                 y3="-0.722089"
                                 z3="-1.361674"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.734824"
                                 y3="-0.305701"
                                 z3="-0.029085"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.267312"
                                 y3="1.612015"
                                 z3="0.013966"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.5963"
                                 y3="-0.725745"
                                 z3="1.375754"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.342702"
                                 y3="-3.168007"
                                 z3="1.589372"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.217089"
                                 y3="1.778242"
                                 z3="-2.964916"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.702864"
                                 y3="-0.012483"
                                 z3="2.968938"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.841189"
                                 y3="1.261516"
                                 z3="-1.319978"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.100318"
                                 y3="2.060225"
                                 z3="-1.751324"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.268402"
                                 y3="-0.956982"
                                 z3="-0.001271"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.094338"
                                 y3="2.041352"
                                 z3="1.760337"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.904344"
                                 y3="-3.220679"
                                 z3="-0.00289"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.220755"
                                 y3="1.770387"
                                 z3="2.956737"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.336103"
                                 y3="-3.152392"
                                 z3="-1.588955"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.842799"
                                 y3="1.27005"
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                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.690297"
                                 y3="0.000557"
                                 z3="-2.948418"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="2.059943"
                                 y3="-0.086811"
                                 z3="-3.491642"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.969167"
                                 y3="4.432086"
                                 z3="-2.75272"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.3653"
                                 y3="3.561417"
                                 z3="-1.337953"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.162155"
                                 y3="-2.026014"
                                 z3="3.565015"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.459445"
                                 y3="-2.402614"
                                 z3="-2.156519"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.993648"
                                 y3="3.912813"
                                 z3="0.019701"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.468373"
                                 y3="-2.382742"
                                 z3="2.150171"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.192406"
                                 y3="-0.060592"
                                 z3="-0.005442"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.830165"
                                 y3="-4.595906"
                                 z3="2.497182"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.059187"
                                 y3="-0.080118"
                                 z3="3.502821"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.150667"
                                 y3="-2.013602"
                                 z3="-3.562375"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.369081"
                                 y3="3.561352"
                                 z3="1.339176"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.803473"
                                 y3="-4.616245"
                                 z3="-2.507496"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.636534"
                                 y3="-0.650775"
                                 z3="-2.459622"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.929155"
                                 y3="4.404364"
                                 z3="2.769201"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.653288"
                                 y3="-0.618858"
                                 z3="2.470997"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-1.936589"
                                 y3="0.974413"
                                 z3="2.208646"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.906876"
                                 y3="0.865772"
                                 z3="-2.243352"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a19 a45" order="S"/>
                           <bond atomRefs2="a21 a46" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2HO2.26O.7W/c;;1-5(2,3)4;2*1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;+1;-1;2*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/rH2Mo2O34SiW7/c3-1-17-38(8,9)26-39(10,11)28-40(12,18-1)30-42(14,29-39)20-2(4,24-45-34-42)21-43(15,31-41(13,19-1,27-38)35-46-36-43)33-44(16,22-1,23-2,32-40)25-37(5,6)7">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4;12;13,14,15,16,36;19,23,45;21,28,46;2;8;9;17;18;20;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;10;11;3;5;6;7/E:;;(1,2,3,4);2*(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4.1;2*1-1,2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1OO1O1OOOOOOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H2/rB:;;;s2;;;s6;s7;;;;;;s6;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s19s23;s21s28;/rC:.3986,-3.0144,-1.8573;-.1529,.1309,-5.3016;-.5254,3.049,1.703;2.979,-.6186,1.9108;.0655,-.0893,-3.5592;2.3623,2.5716,-.0118;.034,-.1015,3.5542;3.8447,3.5535,-.0158;-.1634,.1199,5.3024;.3904,-3.0017,1.847;2.964,-.633,-1.8681;-.5684,3.0664,-1.7107;.6368,-.7221,-1.3617;-1.7348,-.3057,-.0291;.2673,1.612,.014;.5963,-.7257,1.3758;-1.3427,-3.168,1.5894;.2171,1.7782,-2.9649;-1.7029,-.0125,2.9689;2.8412,1.2615,-1.32;-2.1003,2.0602,-1.7513;3.2684,-.957,-.0013;-2.0943,2.0414,1.7603;.9043,-3.2207,-.0029;.2208,1.7704,2.9567;-1.3361,-3.1524,-1.589;2.8428,1.27,1.3046;-1.6903,.0006,-2.9484;2.0599,-.0868,-3.4916;-.9692,4.4321,-2.7527;1.3653,3.5614,-1.338;.1622,-2.026,3.565;2.4594,-2.4026,-2.1565;-.9936,3.9128,.0197;2.4684,-2.3827,2.1502;-.1924,-.0606,-.0054;.8302,-4.5959,2.4972;2.0592,-.0801,3.5028;.1507,-2.0136,-3.5624;1.3691,3.5614,1.3392;.8035,-4.6162,-2.5075;4.6365,-.6508,-2.4596;-.9292,4.4044,2.7692;4.6533,-.6189,2.471;-1.9366,.9744,2.2086;-1.9069,.8658,-2.2434;/R:/0/N:4,12,44,30,13,14,16,17,37,26,41,42,9,2,43,8,35,22,38,18,34,27,31,21,15,24,32,33,39,29,25,20,40,28,19,23,36,10,1,11,7,5,3,6,46,45/E:(5,6,7)(8,9)(10,11)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,45.2,46.2</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">-14.81452252</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01948582</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">0.00579984</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">0.01948582</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00579984</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.18956451</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">0.04285226</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="0.362435"
                                 y3="-2.981167"
                                 z3="-1.8694"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.002087"
                                 y3="0.146335"
                                 z3="-5.339368"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.523187"
                                 y3="3.029642"
                                 z3="1.714331"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.993987"
                                 y3="-0.631579"
                                 z3="1.920528"/>
                           <atom elementType="W"
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                                 x3="0.123096"
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                                 z3="-3.59977"/>
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                                 x3="2.978239"
                                 y3="-0.651144"
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                           <atom elementType="Mo"
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                                 x3="-0.586453"
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                                 y3="-2.01423"
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                           <bond atomRefs2="a2 a5" order="S"/>
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                           <bond atomRefs2="a3 a43" order="S"/>
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                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" 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="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
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                           <bond atomRefs2="a11 a42" order="S"/>
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                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a19 a45" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.HO2.H2O.27O.7W/c;;1-5(2,3)4;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-1/rH2Mo2O34SiW7/c3-1(4)19-38(9,10)27-39(11,12)29-41(14,28-38)23-2(5)22-40(13,20-1,30-41)31-42(15,21-1)32-43(16,24-2,36-45-35-42)34-44(17,18,25-2,33-39)26-37(6,7)8/h9H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <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">-14.82017476</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01844882</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">0.00533396</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">0.01844882</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00533396</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03144240</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">
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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">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
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                                 z3="-0.017295"/>
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                                 y3="-0.081265"
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                                 y3="3.543717"
                                 z3="1.340098"/>
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                                 x3="0.807027"
                                 y3="-4.568987"
                                 z3="-2.505323"/>
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                                 x3="4.634342"
                                 y3="-0.671544"
                                 z3="-2.454849"/>
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                                 x3="-0.882702"
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                                 x3="4.657212"
                                 y3="-0.634133"
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                                 x3="-1.962769"
                                 y3="1.025721"
                                 z3="2.355675"/>
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                                 id="a46"
                                 x3="-1.920968"
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                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" 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 a35" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a19 a45" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.HO2.H2O.27O.7W/c;;1-5(2,3)4;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-1/rH2Mo2O34SiW7/c3-1(4)19-38(9,10)27-39(11,12)29-41(14,28-38)23-2(5)22-40(13,20-1,30-41)31-42(15,21-1)32-43(16,24-2,36-45-35-42)34-44(17,18,25-2,33-39)26-37(6,7)8/h9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;19,23,45;28;2;8;9;17;18;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;11;3;5;7;10/E:;;(1,2,3,4);(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4-1;1-1,2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1OO1OOOO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H/rB:;;;s2;;;s6;s7;;;;;;;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s19s23;s28;/rC:.3626,-2.9774,-1.8687;.023,.1527,-5.3481;-.5224,3.0315,1.7147;2.9931,-.6319,1.9229;.1281,-.0586,-3.6063;2.3408,2.5475,-.0173;.0708,-.0813,3.6029;3.7773,3.5664,-.02;.0174,.1379,5.3512;.3545,-2.9647,1.8602;2.9775,-.6525,-1.8603;-.5859,3.0517,-1.7242;.6278,-.7174,-1.3693;-1.7252,-.4143,-.0382;.2301,1.5629,.0168;.5735,-.7212,1.3971;-1.3773,-3.174,1.6536;.2045,1.7745,-2.9879;-1.7117,-.0002,3.1521;2.8256,1.2582,-1.3364;-2.1268,2.08,-1.8362;3.2767,-.9581,-.0003;-2.1151,2.0283,1.8534;.8308,-3.1706,-.0036;.208,1.7644,2.9796;-1.3721,-3.1555,-1.6475;2.8257,1.2647,1.3088;-1.706,.0178,-3.1162;2.0927,-.0844,-3.5064;-.9206,4.439,-2.7469;1.3247,3.5451,-1.3272;.1744,-2.0167,3.5888;2.4579,-2.4076,-2.1547;-1.0491,3.8473,.026;2.4801,-2.3881,2.1372;-.1999,-.0846,-.0054;.8393,-4.5487,2.4895;2.0934,-.077,3.5174;.1428,-1.9898,-3.5786;1.3386,3.5437,1.3401;.807,-4.569,-2.5053;4.6343,-.6715,-2.4548;-.8827,4.4037,2.7565;4.6572,-.6341,2.4775;-1.9628,1.0257,2.3557;-1.921,.847,-2.4421;/R:/0/N:12,4,21,30,44,13,14,15,28,2,26,41,8,42,43,9,17,37,18,31,34,27,22,38,35,16,39,29,33,20,40,25,24,32,23,19,36,5,1,6,11,3,7,10,45/E:(3,4)(6,7,8)(11,12)(17,18)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,45.2</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">-14.82132069</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01889773</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">0.00455312</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">0.01889773</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00455312</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01871598</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">
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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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                     <molecule id="geometry.cycle">
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                                 id="a31"
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                                 y3="3.54414"
                                 z3="-1.325817"/>
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                                 id="a32"
                                 x3="0.173243"
                                 y3="-2.016399"
                                 z3="3.588757"/>
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                                 id="a33"
                                 x3="2.458873"
                                 y3="-2.407773"
                                 z3="-2.156499"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-1.053553"
                                 y3="3.844012"
                                 z3="0.029275"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.481721"
                                 y3="-2.387649"
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                           <atom elementType="Si"
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                                 x3="-0.202486"
                                 y3="-0.086742"
                                 z3="-0.006512"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.842527"
                                 y3="-4.546707"
                                 z3="2.485758"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.094251"
                                 y3="-0.076579"
                                 z3="3.517521"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.141082"
                                 y3="-1.988439"
                                 z3="-3.579232"/>
                           <atom elementType="O"
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                                 x3="1.339258"
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                                 z3="1.340061"/>
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                                 x3="-0.88168"
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                                 id="a45"
                                 x3="-1.963302"
                                 y3="1.040201"
                                 z3="2.36521"/>
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                                 id="a46"
                                 x3="-1.919545"
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                                 z3="-2.460844"/>
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                        <bondArray>
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                           <bond atomRefs2="a1 a26" order="S"/>
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                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" 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 a35" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
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                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a19 a45" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.HO2.H2O.27O.7W/c;;1-5(2,3)4;1-3-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-1/rH2Mo2O34SiW7/c3-1(4)19-38(9,10)27-39(11,12)29-41(14,28-38)23-2(5)22-40(13,20-1,30-41)31-42(15,21-1)32-43(16,24-2,36-45-35-42)34-44(17,18,25-2,33-39)26-37(6,7)8/h9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;19,23,45;28;2;8;9;17;18;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;11;3;5;7;10/E:;;(1,2,3,4);(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4-1;1-1,2-1,3.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1OO1OOOO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H/rB:;;;s2;;;s6;s7;;;;;;;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s19s23;s28;/rC:.3598,-2.9762,-1.8686;.0281,.1575,-5.3506;-.5205,3.0318,1.7171;2.9936,-.6327,1.9255;.131,-.0572,-3.6088;2.342,2.5463,-.0185;.0689,-.0806,3.6039;3.7814,3.5635,-.0221;.0206,.1419,5.3526;.3514,-2.9628,1.8591;2.9785,-.6549,-1.8597;-.589,3.051,-1.7233;.6278,-.7199,-1.3692;-1.7296,-.4151,-.0371;.2297,1.5617,.0178;.5714,-.7224,1.3974;-1.3802,-3.1786,1.6538;.2047,1.7734,-2.9886;-1.7145,.002,3.1561;2.8244,1.2579,-1.3374;-2.1284,2.0763,-1.8372;3.2784,-.9576,-.0002;-2.112,2.0284,1.8633;.8301,-3.1692,-.0041;.2108,1.7643,2.9812;-1.374,-3.1624,-1.6496;2.8247,1.2644,1.3077;-1.7068,.0205,-3.1235;2.0941,-.0852,-3.5065;-.9233,4.4394,-2.7458;1.3231,3.5441,-1.3258;.1732,-2.0164,3.5888;2.4589,-2.4078,-2.1565;-1.0536,3.844,.0293;2.4817,-2.3876,2.1377;-.2025,-.0867,-.0065;.8425,-4.5467,2.4858;2.0943,-.0766,3.5175;.1411,-1.9884,-3.5792;1.3393,3.5431,1.3401;.81,-4.5671,-2.5041;4.6364,-.6709,-2.4543;-.8817,4.404,2.7594;4.659,-.6318,2.479;-1.9633,1.0402,2.3652;-1.9195,.8401,-2.4608;/R:/0/N:12,4,21,30,44,13,14,15,28,2,26,41,8,42,43,9,17,37,18,31,34,27,22,38,35,16,39,29,33,20,40,25,24,32,23,19,36,5,1,6,11,3,7,10,45/E:(3,4)(6,7,8)(11,12)(17,18)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,45.2</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">14</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">14</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-14.82201798</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01642859</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">0.00429709</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">0.01642859</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00429709</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07773711</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">0.01530446</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="0.349458"
                                 y3="-2.966054"
                                 z3="-1.865915"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.068148"
                                 y3="0.184823"
                                 z3="-5.367761"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.511877"
                                 y3="3.035076"
                                 z3="1.72517"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.992653"
                                 y3="-0.636944"
                                 z3="1.939175"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.148632"
                                 y3="-0.048801"
                                 z3="-3.625581"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.349603"
                                 y3="2.541331"
                                 z3="-0.024469"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="0.059133"
                                 y3="-0.07894"
                                 z3="3.615896"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.804512"
                                 y3="3.547173"
                                 z3="-0.030138"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.055904"
                                 y3="0.166892"
                                 z3="5.365931"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.344054"
                                 y3="-2.954199"
                                 z3="1.856707"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.981551"
                                 y3="-0.666277"
                                 z3="-1.856326"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.602486"
                                 y3="3.051661"
                                 z3="-1.721803"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.626072"
                                 y3="-0.72975"
                                 z3="-1.368182"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.745237"
                                 y3="-0.40993"
                                 z3="-0.034716"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.222518"
                                 y3="1.55498"
                                 z3="0.020786"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.560057"
                                 y3="-0.729839"
                                 z3="1.401387"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.386966"
                                 y3="-3.196577"
                                 z3="1.658411"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.199279"
                                 y3="1.76507"
                                 z3="-2.994795"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.726311"
                                 y3="0.002716"
                                 z3="3.209234"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.814598"
                                 y3="1.256487"
                                 z3="-1.343857"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.135615"
                                 y3="2.089261"
                                 z3="-1.853319"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.283541"
                                 y3="-0.955771"
                                 z3="-0.000261"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.107945"
                                 y3="2.029115"
                                 z3="1.900233"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.829489"
                                 y3="-3.167626"
                                 z3="-0.005768"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.215198"
                                 y3="1.757587"
                                 z3="2.988788"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.381278"
                                 y3="-3.187296"
                                 z3="-1.654272"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.814989"
                                 y3="1.261422"
                                 z3="1.302373"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.719096"
                                 y3="0.021004"
                                 z3="-3.173753"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="2.100424"
                                 y3="-0.090578"
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                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.920889"
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                                 z3="-2.745456"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.316651"
                                 y3="3.538082"
                                 z3="-1.317402"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.173089"
                                 y3="-2.018097"
                                 z3="3.59204"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.462601"
                                 y3="-2.409186"
                                 z3="-2.167287"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-1.075302"
                                 y3="3.830114"
                                 z3="0.043838"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.4923"
                                 y3="-2.388965"
                                 z3="2.138796"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.212676"
                                 y3="-0.0951"
                                 z3="-0.008035"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.85792"
                                 y3="-4.537878"
                                 z3="2.476276"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.098959"
                                 y3="-0.07888"
                                 z3="3.518683"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.128282"
                                 y3="-1.980719"
                                 z3="-3.58193"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.341716"
                                 y3="3.537046"
                                 z3="1.341555"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.821685"
                                 y3="-4.553058"
                                 z3="-2.503957"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.644294"
                                 y3="-0.666747"
                                 z3="-2.451495"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.87432"
                                 y3="4.407318"
                                 z3="2.771235"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.66494"
                                 y3="-0.619786"
                                 z3="2.486039"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-1.982483"
                                 y3="1.088955"
                                 z3="2.39213"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.927967"
                                 y3="0.79434"
                                 z3="-2.538581"/>
                        </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 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" 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 a35" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)29-40(12,13)23-2(5)24-41(14,22-1,30-38)32-42(15,25-2)31-39(10,11,21-1)34-44(18,19,35-42)28-37(6,7)27-43(16,17,26-2,33-40)36-44/h8,10H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;6;7;11;1;3;5;10/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOO1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s1;;;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3495,-2.9661,-1.8659;.0681,.1848,-5.3678;-.5119,3.0351,1.7252;2.9927,-.6369,1.9392;.1486,-.0488,-3.6256;2.3496,2.5413,-.0245;.0591,-.0789,3.6159;3.8045,3.5472,-.0301;.0559,.1669,5.3659;.3441,-2.9542,1.8567;2.9816,-.6663,-1.8563;-.6025,3.0517,-1.7218;.6261,-.7298,-1.3682;-1.7452,-.4099,-.0347;.2225,1.555,.0208;.5601,-.7298,1.4014;-1.387,-3.1966,1.6584;.1993,1.7651,-2.9948;-1.7263,.0027,3.2092;2.8146,1.2565,-1.3439;-2.1356,2.0893,-1.8533;3.2835,-.9558,-.0003;-2.1079,2.0291,1.9002;.8295,-3.1676,-.0058;.2152,1.7576,2.9888;-1.3813,-3.1873,-1.6543;2.815,1.2614,1.3024;-1.7191,.021,-3.1738;2.1004,-.0906,-3.5096;-.9209,4.4474,-2.7455;1.3167,3.5381,-1.3174;.1731,-2.0181,3.592;2.4626,-2.4092,-2.1673;-1.0753,3.8301,.0438;2.4923,-2.389,2.1388;-.2127,-.0951,-.008;.8579,-4.5379,2.4763;2.099,-.0789,3.5187;.1283,-1.9807,-3.5819;1.3417,3.537,1.3416;.8217,-4.5531,-2.504;4.6443,-.6667,-2.4515;-.8743,4.4073,2.7712;4.6649,-.6198,2.486;-1.9825,1.089,2.3921;-1.928,.7943,-2.5386;/R:/0/N:12,4,21,30,44,14,15,23,43,28,2,9,19,8,42,17,37,26,41,34,18,31,38,27,22,35,16,13,25,40,29,20,32,39,33,24,36,3,5,7,6,11,10,1/E:(3,4)(6,7)(12,13)(16,17)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1</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">-14.82453258</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02009223</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">0.00508122</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">0.02009223</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00508122</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03580160</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">0.00794045</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="0.350709"
                                 y3="-2.962586"
                                 z3="-1.861854"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.074907"
                                 y3="0.197343"
                                 z3="-5.375033"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.504116"
                                 y3="3.041801"
                                 z3="1.727864"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.989175"
                                 y3="-0.636967"
                                 z3="1.947082"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.152573"
                                 y3="-0.048213"
                                 z3="-3.632735"/>
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                                 y3="2.541801"
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                                 y3="3.535574"
                                 z3="-0.034169"/>
                           <atom elementType="O"
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                                 x3="0.055458"
                                 y3="0.178494"
                                 z3="5.367663"/>
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                                 x3="0.351419"
                                 y3="-2.955079"
                                 z3="1.85378"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.980454"
                                 y3="-0.669898"
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                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.608216"
                                 y3="3.055306"
                                 z3="-1.717643"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.624863"
                                 y3="-0.734775"
                                 z3="-1.365398"/>
                           <atom elementType="O"
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                                 x3="-1.756477"
                                 y3="-0.388746"
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                                 y3="1.557545"
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                                 x3="0.557394"
                                 y3="-0.736485"
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                           <atom elementType="O"
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                                 x3="-1.379161"
                                 y3="-3.202512"
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                                 x3="0.191416"
                                 y3="1.757639"
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                           <atom elementType="O"
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                                 x3="-1.734984"
                                 y3="-0.009253"
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                                 id="a20"
                                 x3="2.808881"
                                 y3="1.256807"
                                 z3="-1.347127"/>
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                                 id="a21"
                                 x3="-2.139375"
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                                 z3="-0.00065"/>
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                                 id="a23"
                                 x3="-2.107891"
                                 y3="2.042054"
                                 z3="1.899413"/>
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                                 z3="2.988312"/>
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                                 z3="-3.190257"/>
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                                 id="a29"
                                 x3="2.099149"
                                 y3="-0.094149"
                                 z3="-3.510108"/>
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                                 id="a30"
                                 x3="-0.917203"
                                 y3="4.453505"
                                 z3="-2.74475"/>
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                                 id="a31"
                                 x3="1.319921"
                                 y3="3.535543"
                                 z3="-1.312714"/>
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                                 id="a32"
                                 x3="0.175371"
                                 y3="-2.022008"
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                                 y3="-2.409866"
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                                 y3="-2.39141"
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                           <atom elementType="Si"
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                                 y3="-0.094027"
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                                 y3="-4.539247"
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                                 y3="-0.081171"
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                                 y3="-1.979199"
                                 z3="-3.581962"/>
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                                 id="a40"
                                 x3="1.349629"
                                 y3="3.533799"
                                 z3="1.344848"/>
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                                 x3="4.66572"
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                                 x3="-2.001274"
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                                 x3="-1.945027"
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                           <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 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" 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 a35" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)29-40(12,13)23-2(5)24-41(14,22-1,30-38)32-42(15,25-2)31-39(10,11,21-1)34-44(18,19,35-42)28-37(6,7)27-43(16,17,26-2,33-40)36-44/h8,10H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;6;7;11;1;3;5;10/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOO1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s1;;;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3507,-2.9626,-1.8619;.0749,.1973,-5.375;-.5041,3.0418,1.7279;2.9892,-.637,1.9471;.1526,-.0482,-3.6327;2.36,2.5418,-.0276;.045,-.0823,3.6171;3.8283,3.5356,-.0342;.0555,.1785,5.3677;.3514,-2.9551,1.8538;2.9805,-.6699,-1.8537;-.6082,3.0553,-1.7176;.6249,-.7348,-1.3654;-1.7565,-.3887,-.0299;.2211,1.5575,.0224;.5574,-.7365,1.4004;-1.3792,-3.2025,1.6522;.1914,1.7576,-2.9945;-1.735,-.0093,3.2201;2.8089,1.2568,-1.3471;-2.1394,2.1088,-1.8467;3.2843,-.9544,-.0006;-2.1079,2.0421,1.8994;.8423,-3.1784,-.007;.2136,1.7505,2.9883;-1.3795,-3.1935,-1.6469;2.8099,1.2598,1.2985;-1.7296,.002,-3.1903;2.0991,-.0941,-3.5101;-.9172,4.4535,-2.7447;1.3199,3.5355,-1.3127;.1754,-2.022,3.5911;2.4651,-2.4099,-2.1739;-1.0763,3.8354,.0534;2.5003,-2.3914,2.1402;-.2162,-.094,-.0064;.8663,-4.5392,2.477;2.0969,-.0812,3.5175;.1222,-1.9792,-3.582;1.3496,3.5338,1.3448;.8267,-4.5475,-2.5082;4.6465,-.6609,-2.4494;-.8685,4.4108,2.7802;4.6657,-.609,2.4903;-2.0013,1.1095,2.3744;-1.945,.7585,-2.5451;/R:/0/N:12,4,21,30,44,14,15,23,43,28,2,9,19,8,42,17,37,26,41,34,18,31,38,27,22,35,16,13,25,40,29,20,32,39,33,24,36,3,5,7,6,11,10,1/E:(3,4)(6,7)(12,13)(16,17)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1</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">-14.82616835</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01776447</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">0.00490591</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">0.01776447</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00490591</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01772147</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">0.00382480</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>
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                                 y3="-2.959564"
                                 z3="-1.859892"/>
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                                 z3="-5.375924"/>
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                                 y3="-0.636777"
                                 z3="1.949376"/>
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                                 z3="-3.634536"/>
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                                 z3="-0.028905"/>
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                                 x3="0.039424"
                                 y3="-0.084527"
                                 z3="3.617783"/>
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                                 z3="-0.034488"/>
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                                 y3="1.559053"
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                                 x3="0.820443"
                                 y3="-4.543165"
                                 z3="-2.512484"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.645355"
                                 y3="-0.660988"
                                 z3="-2.448107"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.864638"
                                 y3="4.411995"
                                 z3="2.780238"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.665454"
                                 y3="-0.60654"
                                 z3="2.489138"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.012943"
                                 y3="1.109131"
                                 z3="2.356642"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.952648"
                                 y3="0.741603"
                                 z3="-2.538211"/>
                        </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 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" 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 a35" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)29-40(12,13)23-2(5)24-41(14,22-1,30-38)32-42(15,25-2)31-39(10,11,21-1)34-44(18,19,35-42)28-37(6,7)27-43(16,17,26-2,33-40)36-44/h8,10H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;6;7;11;1;3;5;10/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOO1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s1;;;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.351,-2.9596,-1.8599;.074,.1989,-5.3759;-.5012,3.0449,1.726;2.9888,-.6368,1.9494;.1544,-.0469,-3.6345;2.3644,2.5419,-.0289;.0394,-.0845,3.6178;3.8317,3.5349,-.0345;.0512,.1757,5.3679;.356,-2.9558,1.8542;2.9809,-.6709,-1.851;-.61,3.0558,-1.7159;.6251,-.7347,-1.3629;-1.7531,-.3848,-.031;.2205,1.5591,.0225;.5578,-.739,1.4004;-1.3744,-3.199,1.6521;.1888,1.7561,-2.9925;-1.7357,-.0174,3.225;2.8079,1.2571,-1.3487;-2.1411,2.1168,-1.8412;3.2849,-.9544,-.0013;-2.1141,2.0476,1.8886;.8459,-3.1827,-.0068;.2106,1.7471,2.9849;-1.3792,-3.1852,-1.6417;2.8093,1.2591,1.2973;-1.7311,-.0073,-3.191;2.098,-.0946,-3.5088;-.9141,4.4537,-2.7432;1.3217,3.5354,-1.3111;.1806,-2.0231,3.5922;2.4657,-2.4104,-2.1753;-1.0723,3.8413,.0546;2.5042,-2.3932,2.1387;-.2148,-.0916,-.0039;.8675,-4.539,2.4804;2.0976,-.0828,3.5168;.1222,-1.9765,-3.5818;1.3517,3.5336,1.346;.8204,-4.5432,-2.5125;4.6454,-.661,-2.4481;-.8646,4.412,2.7802;4.6655,-.6065,2.4891;-2.0129,1.1091,2.3566;-1.9526,.7416,-2.5382;/R:/0/N:12,4,21,30,44,14,15,23,43,28,2,9,19,8,42,17,37,26,41,34,18,31,38,27,22,35,16,13,25,40,29,20,32,39,33,24,36,3,5,7,6,11,10,1/E:(3,4)(6,7)(12,13)(16,17)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1</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">-14.82716982</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01382824</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">0.00388373</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">0.01382824</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00388373</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.12924998</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">0.02480448</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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                                 y3="-2.939013"
                                 z3="-1.847694"/>
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                                 y3="0.216833"
                                 z3="-5.385872"/>
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                                 x3="-0.47041"
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                                 z3="1.724602"/>
                           <atom elementType="Mo"
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                                 x3="2.987559"
                                 y3="-0.635129"
                                 z3="1.971205"/>
                           <atom elementType="W"
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                                 x3="0.172361"
                                 y3="-0.038021"
                                 z3="-3.649937"/>
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                                 x3="2.394546"
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                                 z3="-0.043245"/>
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                                 x3="-0.006708"
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                                 z3="-0.046619"/>
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                                 x3="0.018193"
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                                 z3="5.362745"/>
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                                 x3="0.378813"
                                 y3="-2.956111"
                                 z3="1.850858"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.98748"
                                 y3="-0.681269"
                                 z3="-1.832737"/>
                           <atom elementType="Mo"
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                                 x3="-0.631918"
                                 y3="3.055118"
                                 z3="-1.696071"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.627671"
                                 y3="-0.741645"
                                 z3="-1.345697"/>
                           <atom elementType="O"
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                                 y3="-0.373567"
                                 z3="-0.026793"/>
                           <atom elementType="O"
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                                 y3="1.56494"
                                 z3="0.026798"/>
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                                 y3="-0.757069"
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                           <atom elementType="O"
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                                 x3="-1.349535"
                                 y3="-3.186641"
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                           <atom elementType="O"
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                                 y3="1.741296"
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                           <atom elementType="O"
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                                 y3="-0.069409"
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                           <atom elementType="O"
                                 id="a20"
                                 x3="2.798713"
                                 y3="1.258902"
                                 z3="-1.364415"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.161786"
                                 y3="2.164181"
                                 z3="-1.793002"/>
                           <atom elementType="O"
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                                 y3="-0.951551"
                                 z3="-0.004495"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.135835"
                                 y3="2.095005"
                                 z3="1.853007"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.868393"
                                 y3="-3.208462"
                                 z3="-0.009033"/>
                           <atom elementType="O"
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                                 x3="0.197493"
                                 y3="1.724061"
                                 z3="2.966106"/>
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                                 x3="-1.379059"
                                 y3="-3.146746"
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                                 x3="2.804934"
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                                 z3="1.286483"/>
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                                 x3="-1.741356"
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                           <atom elementType="O"
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                                 x3="2.09273"
                                 y3="-0.096862"
                                 z3="-3.502245"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.906845"
                                 y3="4.453409"
                                 z3="-2.726293"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.327437"
                                 y3="3.530336"
                                 z3="-1.297738"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.207994"
                                 y3="-2.02805"
                                 z3="3.59537"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.475164"
                                 y3="-2.414092"
                                 z3="-2.187413"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-1.049823"
                                 y3="3.873004"
                                 z3="0.076988"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.533671"
                                 y3="-2.402829"
                                 z3="2.128582"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.211838"
                                 y3="-0.078586"
                                 z3="0.00749"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.877692"
                                 y3="-4.533878"
                                 z3="2.492599"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.100455"
                                 y3="-0.088791"
                                 z3="3.512403"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.121805"
                                 y3="-1.959142"
                                 z3="-3.583206"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.370344"
                                 y3="3.528496"
                                 z3="1.353338"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.796462"
                                 y3="-4.513738"
                                 z3="-2.532558"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.644431"
                                 y3="-0.65686"
                                 z3="-2.440013"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.823832"
                                 y3="4.416319"
                                 z3="2.795728"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.667048"
                                 y3="-0.584388"
                                 z3="2.490036"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.090519"
                                 y3="1.174068"
                                 z3="2.258943"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.992987"
                                 y3="0.612353"
                                 z3="-2.528327"/>
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                        <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 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" 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 a35" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)29-40(12,13)23-2(5)24-41(14,22-1,30-38)32-42(15,25-2)31-39(10,11,21-1)34-44(18,19,35-42)28-37(6,7)27-43(16,17,26-2,33-40)36-44/h8,10H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;6;7;11;1;3;5;10/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOO1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s1;;;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3501,-2.939,-1.8477;.0769,.2168,-5.3859;-.4704,3.0644,1.7246;2.9876,-.6351,1.9712;.1724,-.038,-3.6499;2.3945,2.5375,-.0432;-.0067,-.0982,3.6152;3.8604,3.5246,-.0466;.0182,.1672,5.3627;.3788,-2.9561,1.8509;2.9875,-.6813,-1.8327;-.6319,3.0551,-1.6961;.6277,-.7416,-1.3457;-1.7494,-.3736,-.0268;.2154,1.5649,.0268;.5574,-.7571,1.3962;-1.3495,-3.1866,1.6458;.1629,1.7413,-2.9765;-1.7548,-.0694,3.2304;2.7987,1.2589,-1.3644;-2.1618,2.1642,-1.793;3.2938,-.9516,-.0045;-2.1358,2.095,1.853;.8684,-3.2085,-.009;.1975,1.7241,2.9661;-1.3791,-3.1467,-1.6145;2.8049,1.2553,1.2865;-1.7414,-.0764,-3.2066;2.0927,-.0969,-3.5022;-.9068,4.4534,-2.7263;1.3274,3.5303,-1.2977;.208,-2.028,3.5954;2.4752,-2.4141,-2.1874;-1.0498,3.873,.077;2.5337,-2.4028,2.1286;-.2118,-.0786,.0075;.8777,-4.5339,2.4926;2.1005,-.0888,3.5124;.1218,-1.9591,-3.5832;1.3703,3.5285,1.3533;.7965,-4.5137,-2.5326;4.6444,-.6569,-2.44;-.8238,4.4163,2.7957;4.667,-.5844,2.49;-2.0905,1.1741,2.2589;-1.993,.6124,-2.5283;/R:/0/N:12,4,21,30,44,14,15,23,43,28,2,9,19,8,42,17,37,26,41,34,18,31,38,27,22,35,16,13,25,40,29,20,32,39,33,24,36,3,5,7,6,11,10,1/E:(3,4)(6,7)(12,13)(16,17)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1</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">-14.82977585</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01411866</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">0.00358834</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">0.01411866</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00358834</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06755508</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">0.01533109</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="0.359824"
                                 y3="-2.944288"
                                 z3="-1.848235"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.033613"
                                 y3="0.206173"
                                 z3="-5.377774"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.463099"
                                 y3="3.072168"
                                 z3="1.721606"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.987579"
                                 y3="-0.628907"
                                 z3="1.968725"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.159339"
                                 y3="-0.044113"
                                 z3="-3.64209"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.401032"
                                 y3="2.541908"
                                 z3="-0.041928"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.019148"
                                 y3="-0.104402"
                                 z3="3.600079"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.862295"
                                 y3="3.532676"
                                 z3="-0.04279"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-0.03504"
                                 y3="0.145109"
                                 z3="5.349636"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.392156"
                                 y3="-2.963666"
                                 z3="1.849648"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.987488"
                                 y3="-0.676775"
                                 z3="-1.831369"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.627232"
                                 y3="3.053405"
                                 z3="-1.685927"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.631005"
                                 y3="-0.739928"
                                 z3="-1.341111"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.746479"
                                 y3="-0.354939"
                                 z3="-0.023294"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.221345"
                                 y3="1.575116"
                                 z3="0.02892"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.566318"
                                 y3="-0.757182"
                                 z3="1.390125"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.338433"
                                 y3="-3.170897"
                                 z3="1.636393"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.157067"
                                 y3="1.744033"
                                 z3="-2.964673"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.758839"
                                 y3="-0.091676"
                                 z3="3.173056"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.807122"
                                 y3="1.261298"
                                 z3="-1.363436"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.166054"
                                 y3="2.155356"
                                 z3="-1.752008"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.292497"
                                 y3="-0.950492"
                                 z3="-0.0055"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.14233"
                                 y3="2.12434"
                                 z3="1.812083"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.880711"
                                 y3="-3.220006"
                                 z3="-0.009818"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.188561"
                                 y3="1.722798"
                                 z3="2.95462"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.369938"
                                 y3="-3.123995"
                                 z3="-1.604593"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.813246"
                                 y3="1.257687"
                                 z3="1.287875"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.734816"
                                 y3="-0.097813"
                                 z3="-3.167047"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="2.083666"
                                 y3="-0.094776"
                                 z3="-3.499289"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.916311"
                                 y3="4.445126"
                                 z3="-2.721214"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.338609"
                                 y3="3.535658"
                                 z3="-1.297529"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.216095"
                                 y3="-2.028008"
                                 z3="3.592124"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.476351"
                                 y3="-2.414158"
                                 z3="-2.183882"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-1.018673"
                                 y3="3.900781"
                                 z3="0.074635"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.533921"
                                 y3="-2.40199"
                                 z3="2.124124"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.207402"
                                 y3="-0.069152"
                                 z3="0.011005"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.871825"
                                 y3="-4.544088"
                                 z3="2.498365"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.096378"
                                 y3="-0.086169"
                                 z3="3.511301"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.137938"
                                 y3="-1.964447"
                                 z3="-3.584405"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.380355"
                                 y3="3.533276"
                                 z3="1.358886"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.783499"
                                 y3="-4.523131"
                                 z3="-2.537154"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.641558"
                                 y3="-0.657997"
                                 z3="-2.444146"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.815864"
                                 y3="4.416331"
                                 z3="2.802072"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.666723"
                                 y3="-0.585286"
                                 z3="2.486129"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.095874"
                                 y3="1.170312"
                                 z3="2.198579"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-2.000784"
                                 y3="0.58563"
                                 z3="-2.460772"/>
                        </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 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" 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 a35" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)29-40(12,13)23-2(5)24-41(14,22-1,30-38)32-42(15,25-2)31-39(10,11,21-1)34-44(18,19,35-42)28-37(6,7)27-43(16,17,26-2,33-40)36-44/h8,10H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;6;7;11;1;3;5;10/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOO1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s1;;;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3598,-2.9443,-1.8482;.0336,.2062,-5.3778;-.4631,3.0722,1.7216;2.9876,-.6289,1.9687;.1593,-.0441,-3.6421;2.401,2.5419,-.0419;-.0191,-.1044,3.6001;3.8623,3.5327,-.0428;-.035,.1451,5.3496;.3922,-2.9637,1.8496;2.9875,-.6768,-1.8314;-.6272,3.0534,-1.6859;.631,-.7399,-1.3411;-1.7465,-.3549,-.0233;.2213,1.5751,.0289;.5663,-.7572,1.3901;-1.3384,-3.1709,1.6364;.1571,1.744,-2.9647;-1.7588,-.0917,3.1731;2.8071,1.2613,-1.3634;-2.1661,2.1554,-1.752;3.2925,-.9505,-.0055;-2.1423,2.1243,1.8121;.8807,-3.22,-.0098;.1886,1.7228,2.9546;-1.3699,-3.124,-1.6046;2.8132,1.2577,1.2879;-1.7348,-.0978,-3.167;2.0837,-.0948,-3.4993;-.9163,4.4451,-2.7212;1.3386,3.5357,-1.2975;.2161,-2.028,3.5921;2.4764,-2.4142,-2.1839;-1.0187,3.9008,.0746;2.5339,-2.402,2.1241;-.2074,-.0692,.011;.8718,-4.5441,2.4984;2.0964,-.0862,3.5113;.1379,-1.9644,-3.5844;1.3804,3.5333,1.3589;.7835,-4.5231,-2.5372;4.6416,-.658,-2.4441;-.8159,4.4163,2.8021;4.6667,-.5853,2.4861;-2.0959,1.1703,2.1986;-2.0008,.5856,-2.4608;/R:/0/N:12,4,21,30,44,14,15,23,43,28,2,9,19,8,42,17,37,26,41,34,18,31,38,27,22,35,16,13,25,40,29,20,32,39,33,24,36,3,5,7,6,11,10,1/E:(3,4)(6,7)(12,13)(16,17)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1</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">-14.83003087</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01772837</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">0.00444410</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">0.01772837</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00444410</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01894501</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">0.00376674</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="0.35609"
                                 y3="-2.940855"
                                 z3="-1.849177"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.037523"
                                 y3="0.211474"
                                 z3="-5.379619"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.45789"
                                 y3="3.073212"
                                 z3="1.721878"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.988627"
                                 y3="-0.627711"
                                 z3="1.972282"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.164096"
                                 y3="-0.041642"
                                 z3="-3.644422"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.402284"
                                 y3="2.540367"
                                 z3="-0.045135"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.02421"
                                 y3="-0.106328"
                                 z3="3.601588"/>
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                                 x3="3.862525"
                                 y3="3.533862"
                                 z3="-0.044157"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-0.034348"
                                 y3="0.147638"
                                 z3="5.351308"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.391862"
                                 y3="-2.962551"
                                 z3="1.851325"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.990447"
                                 y3="-0.679858"
                                 z3="-1.829369"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.630525"
                                 y3="3.049713"
                                 z3="-1.683311"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.632109"
                                 y3="-0.741571"
                                 z3="-1.339006"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.747868"
                                 y3="-0.352297"
                                 z3="-0.026162"/>
                           <atom elementType="O"
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                                 x3="0.219018"
                                 y3="1.57319"
                                 z3="0.029896"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.564983"
                                 y3="-0.758407"
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                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.339184"
                                 y3="-3.173631"
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                           <atom elementType="O"
                                 id="a18"
                                 x3="0.153097"
                                 y3="1.743742"
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                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.763207"
                                 y3="-0.098784"
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                           <atom elementType="O"
                                 id="a20"
                                 x3="2.809108"
                                 y3="1.261344"
                                 z3="-1.366646"/>
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                                 id="a21"
                                 x3="-2.170424"
                                 y3="2.156361"
                                 z3="-1.74551"/>
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                                 id="a22"
                                 x3="3.294441"
                                 y3="-0.950002"
                                 z3="-0.005593"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.147046"
                                 y3="2.128911"
                                 z3="1.811169"/>
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                                 x3="0.87679"
                                 y3="-3.218327"
                                 z3="-0.009889"/>
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                                 x3="0.183734"
                                 y3="1.719192"
                                 z3="2.953953"/>
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                                 id="a26"
                                 x3="-1.373799"
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                                 id="a27"
                                 x3="2.814073"
                                 y3="1.258256"
                                 z3="1.286822"/>
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                                 y3="-0.095999"
                                 z3="-3.173024"/>
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                                 id="a29"
                                 x3="2.084589"
                                 y3="-0.092921"
                                 z3="-3.500606"/>
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                                 id="a30"
                                 x3="-0.918281"
                                 y3="4.440558"
                                 z3="-2.721957"/>
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                                 id="a31"
                                 x3="1.338228"
                                 y3="3.535467"
                                 z3="-1.295505"/>
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                                 id="a32"
                                 x3="0.222135"
                                 y3="-2.028581"
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                                 y3="-2.414959"
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                                 id="a34"
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                                 z3="0.075778"/>
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                                 id="a35"
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                                 y3="-2.40047"
                                 z3="2.120576"/>
                           <atom elementType="Si"
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                                 x3="-0.209404"
                                 y3="-0.069925"
                                 z3="0.011862"/>
                           <atom elementType="O"
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                                 y3="-4.542983"
                                 z3="2.498217"/>
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                                 x3="2.099233"
                                 y3="-0.085673"
                                 z3="3.513618"/>
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                                 id="a39"
                                 x3="0.141846"
                                 y3="-1.96276"
                                 z3="-3.587294"/>
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                                 id="a40"
                                 x3="1.381934"
                                 y3="3.53283"
                                 z3="1.360288"/>
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                                 y3="-4.521598"
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                                 y3="-0.660318"
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                                 x3="-0.80846"
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                                 x3="4.669263"
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                                 x3="-2.104595"
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                                 z3="2.187452"/>
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                                 id="a46"
                                 x3="-2.001131"
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                           <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="a1 a26" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)29-40(12,13)23-2(5)24-41(14,22-1,30-38)32-42(15,25-2)31-39(10,11,21-1)34-44(18,19,35-42)28-37(6,7)27-43(16,17,26-2,33-40)36-44/h8,10H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;6;7;11;1;3;5;10/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOO1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s1;;;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3561,-2.9409,-1.8492;.0375,.2115,-5.3796;-.4579,3.0732,1.7219;2.9886,-.6277,1.9723;.1641,-.0416,-3.6444;2.4023,2.5404,-.0451;-.0242,-.1063,3.6016;3.8625,3.5339,-.0442;-.0343,.1476,5.3513;.3919,-2.9626,1.8513;2.9904,-.6799,-1.8294;-.6305,3.0497,-1.6833;.6321,-.7416,-1.339;-1.7479,-.3523,-.0262;.219,1.5732,.0299;.565,-.7584,1.3913;-1.3392,-3.1736,1.6426;.1531,1.7437,-2.9627;-1.7632,-.0988,3.1831;2.8091,1.2613,-1.3666;-2.1704,2.1564,-1.7455;3.2944,-.95,-.0056;-2.147,2.1289,1.8112;.8768,-3.2183,-.0099;.1837,1.7192,2.954;-1.3738,-3.1188,-1.6075;2.8141,1.2583,1.2868;-1.7336,-.096,-3.173;2.0846,-.0929,-3.5006;-.9183,4.4406,-2.722;1.3382,3.5355,-1.2955;.2221,-2.0286,3.595;2.4764,-2.415,-2.1842;-1.0154,3.9035,.0758;2.5369,-2.4005,2.1206;-.2094,-.0699,.0119;.8776,-4.543,2.4982;2.0992,-.0857,3.5136;.1418,-1.9628,-3.5873;1.3819,3.5328,1.3603;.7786,-4.5216,-2.5364;4.6436,-.6603,-2.4462;-.8085,4.4145,2.8077;4.6693,-.5846,2.4867;-2.1046,1.1817,2.1875;-2.0011,.5667,-2.4711;/R:/0/N:12,4,21,30,44,14,15,23,43,28,2,9,19,8,42,17,37,26,41,34,18,31,38,27,22,35,16,13,25,40,29,20,32,39,33,24,36,3,5,7,6,11,10,1/E:(3,4)(6,7)(12,13)(16,17)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1</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">-14.83064646</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01307839</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">0.00293556</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">0.01307839</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00293556</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05862009</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">0.01023961</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">
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                                 y3="-2.939503"
                                 z3="-1.851279"/>
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                                 z3="-5.374579"/>
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                                 x3="-0.443253"
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                                 z3="1.722656"/>
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                                 y3="-0.621136"
                                 z3="1.977586"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.162704"
                                 y3="-0.043145"
                                 z3="-3.641154"/>
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                                 id="a6"
                                 x3="2.405447"
                                 y3="2.542489"
                                 z3="-0.051703"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.040393"
                                 y3="-0.112524"
                                 z3="3.592958"/>
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                                 id="a8"
                                 x3="3.863797"
                                 y3="3.540817"
                                 z3="-0.044269"/>
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                                 id="a9"
                                 x3="-0.056753"
                                 y3="0.14993"
                                 z3="5.342659"/>
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                                 x3="0.394836"
                                 y3="-2.964665"
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                           <atom elementType="W"
                                 id="a11"
                                 x3="2.994807"
                                 y3="-0.680535"
                                 z3="-1.827269"/>
                           <atom elementType="Mo"
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                                 x3="-0.632604"
                                 y3="3.040892"
                                 z3="-1.674637"/>
                           <atom elementType="O"
                                 id="a13"
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                                 y3="-0.743258"
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                           <atom elementType="O"
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                                 y3="-0.341853"
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                           <atom elementType="O"
                                 id="a15"
                                 x3="0.219261"
                                 y3="1.574293"
                                 z3="0.031895"/>
                           <atom elementType="O"
                                 id="a16"
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                                 y3="-0.758901"
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                                 z3="-1.372175"/>
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                                 x3="-1.376076"
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                                 x3="2.538026"
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                                 z3="2.112875"/>
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                                 x3="-0.212861"
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                                 x3="0.884901"
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                                 x3="0.77342"
                                 y3="-4.526951"
                                 z3="-2.528392"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.644803"
                                 y3="-0.661563"
                                 z3="-2.455869"/>
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                                 id="a43"
                                 x3="-0.791109"
                                 y3="4.406351"
                                 z3="2.823968"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.671953"
                                 y3="-0.586152"
                                 z3="2.490428"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.111232"
                                 y3="1.202369"
                                 z3="2.128831"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-2.003384"
                                 y3="0.529724"
                                 z3="-2.443065"/>
                        </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="a1 a26" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)29-40(12,13)23-2(5)24-41(14,22-1,30-38)32-42(15,25-2)31-39(10,11,21-1)34-44(18,19,35-42)28-37(6,7)27-43(16,17,26-2,33-40)36-44/h8,10H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;6;7;11;1;3;5;10/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOO1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s1;;;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3547,-2.9395,-1.8513;.0222,.2144,-5.3746;-.4433,3.076,1.7227;2.9894,-.6211,1.9776;.1627,-.0431,-3.6412;2.4054,2.5425,-.0517;-.0404,-.1125,3.593;3.8638,3.5408,-.0443;-.0568,.1499,5.3427;.3948,-2.9647,1.8516;2.9948,-.6805,-1.8273;-.6326,3.0409,-1.6746;.6344,-.7433,-1.3324;-1.7556,-.3419,-.0312;.2193,1.5743,.0319;.5654,-.7589,1.3885;-1.3375,-3.1755,1.6455;.1411,1.7443,-2.9537;-1.7766,-.1202,3.166;2.8198,1.2653,-1.3722;-2.1746,2.1608,-1.7146;3.2982,-.9481,-.0063;-2.15,2.1419,1.7959;.8757,-3.2184,-.0103;.1701,1.7115,2.9487;-1.3761,-3.1054,-1.6077;2.8201,1.2614,1.2849;-1.7315,-.1072,-3.1567;2.0797,-.083,-3.503;-.9235,4.4263,-2.7236;1.3439,3.5388,-1.2928;.2304,-2.0307,3.5951;2.4764,-2.4136,-2.1833;-.9934,3.9186,.0773;2.538,-2.3947,2.1129;-.2129,-.0668,.0137;.8849,-4.546,2.4958;2.1,-.0826,3.5189;.1558,-1.9669,-3.5915;1.3911,3.5343,1.366;.7734,-4.527,-2.5284;4.6448,-.6616,-2.4559;-.7911,4.4064,2.824;4.672,-.5862,2.4904;-2.1112,1.2024,2.1288;-2.0034,.5297,-2.4431;/R:/0/N:12,4,21,30,44,14,15,23,43,28,2,9,19,8,42,17,37,26,41,34,18,31,38,27,22,35,16,13,25,40,29,20,32,39,33,24,36,3,5,7,6,11,10,1/E:(3,4)(6,7)(12,13)(16,17)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">21</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">21</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-14.83113265</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01205364</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">0.00275500</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">0.01205364</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00275500</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04476177</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">0.00724543</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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                                 y3="-2.940503"
                                 z3="-1.854196"/>
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                                 z3="-5.368265"/>
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                                 z3="-0.055102"/>
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                                 x3="-0.047984"
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                                 y3="-2.967236"
                                 z3="1.851766"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.997024"
                                 y3="-0.678912"
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                           <atom elementType="Mo"
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                                 x3="-0.631778"
                                 y3="3.03491"
                                 z3="-1.670548"/>
                           <atom elementType="O"
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                                 y3="1.577141"
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                                 y3="-0.757079"
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                                 y3="-3.176061"
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                                 y3="-0.131247"
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                           <atom elementType="O"
                                 id="a20"
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                                 y3="1.268741"
                                 z3="-1.373164"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.175694"
                                 y3="2.156854"
                                 z3="-1.694163"/>
                           <atom elementType="O"
                                 id="a22"
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                                 y3="-0.947681"
                                 z3="-0.007251"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.153344"
                                 y3="2.149869"
                                 z3="1.777485"/>
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                                 id="a24"
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                                 y3="-3.215948"
                                 z3="-0.010885"/>
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                                 id="a25"
                                 x3="0.160563"
                                 y3="1.7080"
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                                 x3="2.075376"
                                 y3="-0.07512"
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                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.926553"
                                 y3="4.416524"
                                 z3="-2.726261"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.349089"
                                 y3="3.543208"
                                 z3="-1.291937"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.233691"
                                 y3="-2.032821"
                                 z3="3.593896"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.474088"
                                 y3="-2.410948"
                                 z3="-2.182212"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.979636"
                                 y3="3.928409"
                                 z3="0.075953"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.534146"
                                 y3="-2.389089"
                                 z3="2.108139"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.212555"
                                 y3="-0.065357"
                                 z3="0.014703"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.887413"
                                 y3="-4.549835"
                                 z3="2.492963"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.100064"
                                 y3="-0.08055"
                                 z3="3.521327"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.163685"
                                 y3="-1.970828"
                                 z3="-3.593226"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.396158"
                                 y3="3.535251"
                                 z3="1.371014"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.767251"
                                 y3="-4.533545"
                                 z3="-2.522519"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.644553"
                                 y3="-0.663208"
                                 z3="-2.462809"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.786814"
                                 y3="4.401514"
                                 z3="2.830659"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.672773"
                                 y3="-0.590412"
                                 z3="2.4926"/>
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                                 id="a45"
                                 x3="-2.106279"
                                 y3="1.199719"
                                 z3="2.08407"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-2.003142"
                                 y3="0.506574"
                                 z3="-2.413176"/>
                        </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="a1 a26" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)29-40(12,13)23-2(5)24-41(14,22-1,30-38)32-42(15,25-2)31-39(10,11,21-1)34-44(18,19,35-42)28-37(6,7)27-43(16,17,26-2,33-40)36-44/h8,10H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;6;7;11;1;3;5;10/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOO1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s1;;;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.354,-2.9405,-1.8542;.008,.214,-5.3683;-.4364,3.0781,1.7215;2.9896,-.6156,1.9789;.1594,-.0453,-3.6358;2.4051,2.5463,-.0551;-.048,-.1165,3.5873;3.8628,3.5464,-.0412;-.0694,.151,5.337;.396,-2.9672,1.8518;2.997,-.6789,-1.8265;-.6318,3.0349,-1.6705;.6357,-.7423,-1.3299;-1.7559,-.332,-.0344;.2214,1.5771,.0325;.5658,-.7571,1.3877;-1.3377,-3.1761,1.6462;.1373,1.7471,-2.9487;-1.7813,-.1312,3.1595;2.8306,1.2687,-1.3732;-2.1757,2.1569,-1.6942;3.3012,-.9477,-.0073;-2.1533,2.1499,1.7775;.8732,-3.2159,-.0109;.1606,1.708,2.9453;-1.3776,-3.0963,-1.6088;2.8256,1.2636,1.2839;-1.7279,-.1079,-3.1403;2.0754,-.0751,-3.5031;-.9266,4.4165,-2.7263;1.3491,3.5432,-1.2919;.2337,-2.0328,3.5939;2.4741,-2.4109,-2.1822;-.9796,3.9284,.076;2.5341,-2.3891,2.1081;-.2126,-.0654,.0147;.8874,-4.5498,2.493;2.1001,-.0805,3.5213;.1637,-1.9708,-3.5932;1.3962,3.5353,1.371;.7673,-4.5335,-2.5225;4.6446,-.6632,-2.4628;-.7868,4.4015,2.8307;4.6728,-.5904,2.4926;-2.1063,1.1997,2.0841;-2.0031,.5066,-2.4132;/R:/0/N:12,4,21,30,44,14,15,23,43,28,2,9,19,8,42,17,37,26,41,34,18,31,38,27,22,35,16,13,25,40,29,20,32,39,33,24,36,3,5,7,6,11,10,1/E:(3,4)(6,7)(12,13)(16,17)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1</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">-14.83160198</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01163207</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">0.00276044</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">0.01163207</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00276044</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02116612</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">0.00340516</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="0.35449"
                                 y3="-2.941507"
                                 z3="-1.855014"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="0.005049"
                                 y3="0.213083"
                                 z3="-5.365329"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.433074"
                                 y3="3.080472"
                                 z3="1.721571"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.988718"
                                 y3="-0.612622"
                                 z3="1.98011"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.158691"
                                 y3="-0.04732"
                                 z3="-3.633439"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.40556"
                                 y3="2.548808"
                                 z3="-0.057574"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.052193"
                                 y3="-0.11854"
                                 z3="3.584718"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.864814"
                                 y3="3.546269"
                                 z3="-0.039982"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-0.070303"
                                 y3="0.152275"
                                 z3="5.333913"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.397175"
                                 y3="-2.96903"
                                 z3="1.850141"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.997273"
                                 y3="-0.677701"
                                 z3="-1.825431"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.632466"
                                 y3="3.03425"
                                 z3="-1.669434"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.634735"
                                 y3="-0.741436"
                                 z3="-1.329867"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.756816"
                                 y3="-0.325818"
                                 z3="-0.03256"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.223273"
                                 y3="1.579692"
                                 z3="0.0319"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.564094"
                                 y3="-0.75608"
                                 z3="1.387299"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.336014"
                                 y3="-3.180586"
                                 z3="1.642846"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.136513"
                                 y3="1.747211"
                                 z3="-2.947425"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.784894"
                                 y3="-0.135143"
                                 z3="3.159215"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.834836"
                                 y3="1.270447"
                                 z3="-1.373154"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.176444"
                                 y3="2.159661"
                                 z3="-1.687579"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.303737"
                                 y3="-0.947448"
                                 z3="-0.008212"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.152814"
                                 y3="2.154956"
                                 z3="1.771997"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.874116"
                                 y3="-3.21498"
                                 z3="-0.01192"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.157549"
                                 y3="1.706287"
                                 z3="2.944325"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.377075"
                                 y3="-3.096649"
                                 z3="-1.608315"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.826701"
                                 y3="1.263432"
                                 z3="1.282025"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.728056"
                                 y3="-0.113116"
                                 z3="-3.135006"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="2.07298"
                                 y3="-0.072416"
                                 z3="-3.501565"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.925156"
                                 y3="4.415794"
                                 z3="-2.725808"/>
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                                 id="a31"
                                 x3="1.351932"
                                 y3="3.545233"
                                 z3="-1.291389"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.232099"
                                 y3="-2.035216"
                                 z3="3.591357"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.473227"
                                 y3="-2.408858"
                                 z3="-2.183427"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.976448"
                                 y3="3.931576"
                                 z3="0.077945"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.532183"
                                 y3="-2.386663"
                                 z3="2.107066"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.211793"
                                 y3="-0.064214"
                                 z3="0.014382"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.889195"
                                 y3="-4.551418"
                                 z3="2.490265"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.098634"
                                 y3="-0.079891"
                                 z3="3.520705"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.162746"
                                 y3="-1.972904"
                                 z3="-3.592546"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.399308"
                                 y3="3.534013"
                                 z3="1.373508"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.767082"
                                 y3="-4.535347"
                                 z3="-2.520695"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.643562"
                                 y3="-0.662884"
                                 z3="-2.464166"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.786246"
                                 y3="4.401889"
                                 z3="2.831842"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.671548"
                                 y3="-0.590937"
                                 z3="2.495218"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.105048"
                                 y3="1.202225"
                                 z3="2.062904"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-2.00518"
                                 y3="0.49205"
                                 z3="-2.395414"/>
                        </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="a1 a26" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)29-40(12,13)23-2(5)24-41(14,22-1,30-38)32-42(15,25-2)31-39(10,11,21-1)34-44(18,19,35-42)28-37(6,7)27-43(16,17,26-2,33-40)36-44/h8,10H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;6;7;11;1;3;5;10/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOO1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s1;;;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3545,-2.9415,-1.855;.005,.2131,-5.3653;-.4331,3.0805,1.7216;2.9887,-.6126,1.9801;.1587,-.0473,-3.6334;2.4056,2.5488,-.0576;-.0522,-.1185,3.5847;3.8648,3.5463,-.04;-.0703,.1523,5.3339;.3972,-2.969,1.8501;2.9973,-.6777,-1.8254;-.6325,3.0343,-1.6694;.6347,-.7414,-1.3299;-1.7568,-.3258,-.0326;.2233,1.5797,.0319;.5641,-.7561,1.3873;-1.336,-3.1806,1.6428;.1365,1.7472,-2.9474;-1.7849,-.1351,3.1592;2.8348,1.2704,-1.3732;-2.1764,2.1597,-1.6876;3.3037,-.9474,-.0082;-2.1528,2.155,1.772;.8741,-3.215,-.0119;.1575,1.7063,2.9443;-1.3771,-3.0966,-1.6083;2.8267,1.2634,1.282;-1.7281,-.1131,-3.135;2.073,-.0724,-3.5016;-.9252,4.4158,-2.7258;1.3519,3.5452,-1.2914;.2321,-2.0352,3.5914;2.4732,-2.4089,-2.1834;-.9764,3.9316,.0779;2.5322,-2.3867,2.1071;-.2118,-.0642,.0144;.8892,-4.5514,2.4903;2.0986,-.0799,3.5207;.1627,-1.9729,-3.5925;1.3993,3.534,1.3735;.7671,-4.5353,-2.5207;4.6436,-.6629,-2.4642;-.7862,4.4019,2.8318;4.6715,-.5909,2.4952;-2.105,1.2022,2.0629;-2.0052,.492,-2.3954;/R:/0/N:12,4,21,30,44,14,15,23,43,28,2,9,19,8,42,17,37,26,41,34,18,31,38,27,22,35,16,13,25,40,29,20,32,39,33,24,36,3,5,7,6,11,10,1/E:(3,4)(6,7)(12,13)(16,17)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1</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">-14.83186054</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00937051</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">0.00235268</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">0.00937051</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00235268</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.21233100</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">0.03230213</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="0.356181"
                                 y3="-2.948644"
                                 z3="-1.861092"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.038241"
                                 y3="0.210272"
                                 z3="-5.333827"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.404048"
                                 y3="3.100126"
                                 z3="1.71819"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.982431"
                                 y3="-0.584043"
                                 z3="1.992828"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.14799"
                                 y3="-0.060303"
                                 z3="-3.607762"/>
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                                 x3="2.412073"
                                 y3="2.568213"
                                 z3="-0.076516"/>
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                                 x3="-0.093192"
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                                 x3="3.880522"
                                 y3="3.549109"
                                 z3="-0.024055"/>
                           <atom elementType="O"
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                                 x3="-0.094654"
                                 y3="0.154181"
                                 z3="5.307417"/>
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                                 id="a10"
                                 x3="0.412768"
                                 y3="-2.985307"
                                 z3="1.840853"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="3.001747"
                                 y3="-0.670617"
                                 z3="-1.817325"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.635503"
                                 y3="3.026106"
                                 z3="-1.656495"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.629773"
                                 y3="-0.733335"
                                 z3="-1.325508"/>
                           <atom elementType="O"
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                                 x3="-1.761884"
                                 y3="-0.272774"
                                 z3="-0.027375"/>
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                                 y3="1.600198"
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                                 y3="-0.747769"
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                                 x3="-1.318699"
                                 y3="-3.212845"
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                           <atom elementType="O"
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                                 y3="1.75154"
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                                 x3="-1.816827"
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                                 id="a20"
                                 x3="2.874818"
                                 y3="1.283484"
                                 z3="-1.374242"/>
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                                 id="a21"
                                 x3="-2.180558"
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                                 id="a22"
                                 x3="3.32605"
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                                 z3="-0.016587"/>
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                                 id="a23"
                                 x3="-2.157478"
                                 y3="2.202454"
                                 z3="1.700747"/>
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                                 y3="1.688227"
                                 z3="2.929849"/>
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                                 x3="-1.375042"
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                                 id="a29"
                                 x3="2.048219"
                                 y3="-0.050375"
                                 z3="-3.489355"/>
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                                 id="a30"
                                 x3="-0.91669"
                                 y3="4.403849"
                                 z3="-2.721556"/>
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                                 id="a31"
                                 x3="1.38116"
                                 y3="3.564584"
                                 z3="-1.285269"/>
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                                 id="a32"
                                 x3="0.228754"
                                 y3="-2.054178"
                                 z3="3.57543"/>
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                                 y3="-2.364717"
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                           <atom elementType="Si"
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                                 y3="-0.054596"
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                                 y3="-4.566175"
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                                 y3="-0.071469"
                                 z3="3.520329"/>
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                                 y3="-1.987004"
                                 z3="-3.5874"/>
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                                 y3="3.523871"
                                 z3="1.398838"/>
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                                 id="a44"
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                                 x3="-2.098222"
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                                 id="a46"
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                           <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 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" 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 a35" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)29-40(12,13)23-2(5)24-41(14,22-1,30-38)32-42(15,25-2)31-39(10,11,21-1)34-44(18,19,35-42)28-37(6,7)27-43(16,17,26-2,33-40)36-44/h8,10H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;6;7;11;1;3;5;10/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOO1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s1;;;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3562,-2.9486,-1.8611;-.0382,.2103,-5.3338;-.404,3.1001,1.7182;2.9824,-.584,1.9928;.148,-.0603,-3.6078;2.4121,2.5682,-.0765;-.0932,-.1392,3.5612;3.8805,3.5491,-.0241;-.0947,.1542,5.3074;.4128,-2.9853,1.8409;3.0017,-.6706,-1.8173;-.6355,3.0261,-1.6565;.6298,-.7333,-1.3255;-1.7619,-.2728,-.0274;.2393,1.6002,.0269;.5515,-.7478,1.3853;-1.3187,-3.2128,1.6224;.1264,1.7515,-2.9299;-1.8168,-.182,3.1529;2.8748,1.2835,-1.3742;-2.1806,2.1816,-1.619;3.326,-.9454,-.0166;-2.1575,2.2025,1.7007;.8843,-3.2082,-.0193;.1226,1.6882,2.9298;-1.375,-3.0853,-1.5976;2.8376,1.2618,1.2697;-1.7278,-.1452,-3.0714;2.0482,-.0504,-3.4894;-.9167,4.4038,-2.7216;1.3812,3.5646,-1.2853;.2288,-2.0542,3.5754;2.4639,-2.3946,-2.195;-.9349,3.9686,.0895;2.5202,-2.3647,2.0946;-.2047,-.0546,.0144;.9133,-4.5662,2.4722;2.0878,-.0715,3.5203;.1594,-1.987,-3.5874;1.427,3.5239,1.3988;.7528,-4.5511,-2.5097;4.6352,-.6664,-2.4843;-.7803,4.4014,2.8426;4.6641,-.5919,2.5138;-2.0982,1.2251,1.8506;-2.0173,.3498,-2.2501;/R:/0/N:12,4,21,30,44,14,15,23,43,28,2,9,19,8,42,17,37,26,41,34,18,31,38,27,22,35,16,13,25,40,29,20,32,39,33,24,36,3,5,7,6,11,10,1/E:(3,4)(6,7)(12,13)(16,17)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1</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">-14.83320222</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01468606</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">0.00326274</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">0.01468606</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00326274</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.30001362</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">0.04354606</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>
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                                 y3="-2.958829"
                                 z3="-1.866258"/>
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                                 z3="-5.288737"/>
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                                 z3="1.715191"/>
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                                 y3="-0.549023"
                                 z3="2.008756"/>
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                                 y3="-0.073945"
                                 z3="-3.571254"/>
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                                 id="a6"
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                                 y3="2.591386"
                                 z3="-0.095831"/>
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                                 id="a7"
                                 x3="-0.145574"
                                 y3="-0.165666"
                                 z3="3.529961"/>
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                                 y3="3.550916"
                                 z3="-0.001573"/>
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                                 id="a9"
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                                 z3="5.273824"/>
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                                 y3="-3.006466"
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                           <atom elementType="W"
                                 id="a11"
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                                 y3="-0.661979"
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                           <atom elementType="Mo"
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                                 y3="-0.721522"
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                                 y3="-0.198797"
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                                 y3="1.624427"
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                           <atom elementType="O"
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                                 id="a34"
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                                 x3="0.732463"
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                                 z3="-2.504236"/>
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                                 id="a42"
                                 x3="4.622319"
                                 y3="-0.671351"
                                 z3="-2.512227"/>
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                                 id="a43"
                                 x3="-0.772197"
                                 y3="4.394667"
                                 z3="2.85954"/>
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                                 id="a44"
                                 x3="4.653898"
                                 y3="-0.588188"
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                                 id="a45"
                                 x3="-2.097678"
                                 y3="1.277751"
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                                 id="a46"
                                 x3="-2.031975"
                                 y3="0.149721"
                                 z3="-2.077943"/>
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                        <bondArray>
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                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2/rH2Mo2O30W7.O4Si/c3-1(4)18-33(6,7)25-35(10,11)21-2(5)22-36(12,13,26-35)28-37(14,15)27-34(8,9,19-1)30-39(17,24-2,31-37)32-38(16,20-1,23-2)29-33;1-5(2,3)4/h6,8H;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1O1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3633,-2.9588,-1.8663;-.1086,.2098,-5.2887;-.3703,3.1199,1.7152;2.9726,-.549,2.0088;.1267,-.0739,-3.5713;2.4237,2.5914,-.0958;-.1456,-.1657,3.53;3.9028,3.5509,-.0016;-.1417,.1478,5.2738;.4405,-3.0065,1.8322;3.0053,-.662,-1.81;-.6374,3.0193,-1.6367;.6243,-.7215,-1.3187;-1.7623,-.1988,-.025;.2597,1.6244,.02;.538,-.7366,1.3822;-1.2908,-3.2389,1.5982;.1097,1.7581,-2.9033;-1.8588,-.2456,3.1301;2.9201,1.2981,-1.3759;-2.1853,2.2132,-1.5353;3.3491,-.9437,-.0273;-2.158,2.2569,1.612;.9089,-3.2082,-.0277;.079,1.664,2.9088;-1.3664,-3.0654,-1.5735;2.8479,1.2556,1.2577;-1.7276,-.1866,-2.9761;2.0135,-.0274,-3.4754;-.9103,4.3928,-2.7115;1.4202,3.5927,-1.277;.229,-2.0749,3.5602;2.4525,-2.3806,-2.2094;-.8714,4.02,.103;2.5093,-2.3416,2.0802;-.194,-.0402,.0156;.9436,-4.5869,2.4577;2.0731,-.0616,3.5246;.1571,-2.0019,-3.5812;1.4634,3.5099,1.4305;.7325,-4.57,-2.5042;4.6223,-.6714,-2.5122;-.7722,4.3947,2.8595;4.6539,-.5882,2.5313;-2.0977,1.2778,1.5506;-2.032,.1497,-2.0779;/R:/0/N:12,4,21,30,44,23,43,28,2,9,19,17,37,26,41,8,42,34,18,31,38,35,27,22,25,32,39,24,40,29,33,20,3,5,7,10,1,6,11;13,14,15,16,36/E:(3,4)(10,11)(12,13)(14,15);(1,2,3,4)/CRV:3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1;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">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">-14.83468702</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02640266</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">0.00623774</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">0.02640266</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00623774</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.25992692</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">0.03570899</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">
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                                 y3="-3.21296"
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                                 x3="1.982227"
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                                 id="a30"
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                                 z3="-2.70664"/>
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                                 id="a31"
                                 x3="1.454899"
                                 y3="3.619318"
                                 z3="-1.275527"/>
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                                 id="a32"
                                 x3="0.226159"
                                 y3="-2.089902"
                                 z3="3.548353"/>
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                                 id="a33"
                                 x3="2.442097"
                                 y3="-2.370081"
                                 z3="-2.219164"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.819952"
                                 y3="4.05798"
                                 z3="0.106148"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.496964"
                                 y3="-2.328783"
                                 z3="2.07294"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.184619"
                                 y3="-0.028731"
                                 z3="0.015643"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.961671"
                                 y3="-4.607468"
                                 z3="2.448223"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.062721"
                                 y3="-0.057644"
                                 z3="3.529794"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.149676"
                                 y3="-2.013559"
                                 z3="-3.572121"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.486027"
                                 y3="3.497818"
                                 z3="1.453162"/>
                           <atom elementType="O"
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                                 x3="0.720239"
                                 y3="-4.588696"
                                 z3="-2.501173"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.609468"
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                                 z3="-2.534184"/>
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                                 id="a43"
                                 x3="-0.785888"
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                                 z3="2.866765"/>
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                                 id="a44"
                                 x3="4.644873"
                                 y3="-0.589825"
                                 z3="2.539679"/>
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                                 x3="-2.08933"
                                 y3="1.31825"
                                 z3="1.290632"/>
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                                 id="a46"
                                 x3="-2.029468"
                                 y3="0.015217"
                                 z3="-1.926562"/>
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                        <bondArray>
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                           <bond atomRefs2="a1 a33" order="S"/>
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                           <bond atomRefs2="a2 a5" order="S"/>
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                           <bond atomRefs2="a3 a23" order="S"/>
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                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/p-2/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)29-41(15,16)30-40(13,14)24-2(5)25-42(17,23-1,34-43(18,26-2,31-38)33-41)32-39(11,12,22-1)35-44(19,20,27-2,36-40)28-37(6,7)8/h9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;10;11;3;5;7/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;;s7;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3753,-2.9721,-1.868;-.184,.2083,-5.2419;-.3586,3.1273,1.7101;2.9642,-.5262,2.0157;.0972,-.0844,-3.5323;2.4301,2.6112,-.1031;-.1754,-.1834,3.5064;3.9182,3.5516,.0225;-.1771,.136,5.2499;.4657,-3.0249,1.8265;3.0033,-.6508,-1.8099;-.6301,3.0215,-1.6288;.6194,-.7095,-1.3143;-1.7647,-.1422,-.0317;.2767,1.6434,.0101;.5298,-.725,1.3794;-1.2664,-3.2506,1.5757;.1016,1.7672,-2.8866;-1.8847,-.2838,3.1058;2.9499,1.3083,-1.371;-2.178,2.243,-1.4866;3.3604,-.9447,-.0368;-2.1531,2.2775,1.5376;.9381,-3.213,-.0331;.0499,1.6487,2.8948;-1.3514,-3.0552,-1.5451;2.8533,1.2474,1.253;-1.7256,-.2145,-2.8694;1.9822,-.0108,-3.4648;-.9,4.3949,-2.7066;1.4549,3.6193,-1.2755;.2262,-2.0899,3.5484;2.4421,-2.3701,-2.2192;-.82,4.058,.1061;2.497,-2.3288,2.0729;-.1846,-.0287,.0156;.9617,-4.6075,2.4482;2.0627,-.0576,3.5298;.1497,-2.0136,-3.5721;1.486,3.4978,1.4532;.7202,-4.5887,-2.5012;4.6095,-.6707,-2.5342;-.7859,4.3821,2.8668;4.6449,-.5898,2.5397;-2.0893,1.3182,1.2906;-2.0295,.0152,-1.9266;/R:/0/N:12,4,21,30,44,13,14,15,28,2,23,43,17,37,26,41,8,42,9,19,18,34,31,35,27,22,38,16,39,24,29,40,33,20,25,32,36,5,3,10,1,6,11,7/E:(3,4)(6,7,8)(13,14)(15,16)(19,20)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1</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">-14.83708739</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03369866</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">0.00793534</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">0.03369866</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00793534</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.30780437</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">0.04178737</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="0.395331"
                                 y3="-2.992391"
                                 z3="-1.868317"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.283732"
                                 y3="0.205212"
                                 z3="-5.178003"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.366955"
                                 y3="3.125834"
                                 z3="1.699749"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.956061"
                                 y3="-0.509092"
                                 z3="2.016939"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.054461"
                                 y3="-0.09491"
                                 z3="-3.47815"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.431556"
                                 y3="2.633512"
                                 z3="-0.103498"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.191227"
                                 y3="-0.19801"
                                 z3="3.485792"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.928622"
                                 y3="3.55267"
                                 z3="0.055015"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-0.204105"
                                 y3="0.111219"
                                 z3="5.231932"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.495108"
                                 y3="-3.047035"
                                 z3="1.822091"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.996889"
                                 y3="-0.634827"
                                 z3="-1.815906"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.614423"
                                 y3="3.035662"
                                 z3="-1.632607"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.613618"
                                 y3="-0.691914"
                                 z3="-1.312675"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.766984"
                                 y3="-0.07684"
                                 z3="-0.052291"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.294723"
                                 y3="1.663963"
                                 z3="-0.008527"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.522029"
                                 y3="-0.707876"
                                 z3="1.378108"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.238904"
                                 y3="-3.25223"
                                 z3="1.548755"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.097917"
                                 y3="1.781518"
                                 z3="-2.87452"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.902916"
                                 y3="-0.308973"
                                 z3="3.082813"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.973119"
                                 y3="1.316192"
                                 z3="-1.359701"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.163482"
                                 y3="2.284145"
                                 z3="-1.459779"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.364814"
                                 y3="-0.950199"
                                 z3="-0.049487"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.143175"
                                 y3="2.268435"
                                 z3="1.455921"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.978952"
                                 y3="-3.22131"
                                 z3="-0.037928"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.025408"
                                 y3="1.637654"
                                 z3="2.88576"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.326534"
                                 y3="-3.051771"
                                 z3="-1.506975"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.855904"
                                 y3="1.232642"
                                 z3="1.252843"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.715325"
                                 y3="-0.239191"
                                 z3="-2.720442"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="1.946971"
                                 y3="0.003661"
                                 z3="-3.454074"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.883571"
                                 y3="4.415182"
                                 z3="-2.70538"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.495969"
                                 y3="3.653697"
                                 z3="-1.281839"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.218735"
                                 y3="-2.105563"
                                 z3="3.535698"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.429725"
                                 y3="-2.361274"
                                 z3="-2.228849"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.766725"
                                 y3="4.094783"
                                 z3="0.101679"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.478187"
                                 y3="-2.32318"
                                 z3="2.068821"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.172063"
                                 y3="-0.015256"
                                 z3="0.013638"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.972656"
                                 y3="-4.635602"
                                 z3="2.43892"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.055235"
                                 y3="-0.060557"
                                 z3="3.538024"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.134396"
                                 y3="-2.025573"
                                 z3="-3.557396"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.500779"
                                 y3="3.482534"
                                 z3="1.47293"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.712615"
                                 y3="-4.613492"
                                 z3="-2.499202"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.59526"
                                 y3="-0.666019"
                                 z3="-2.555308"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.829451"
                                 y3="4.360233"
                                 z3="2.864164"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.635464"
                                 y3="-0.601452"
                                 z3="2.542152"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.076745"
                                 y3="1.367972"
                                 z3="0.982828"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-2.002382"
                                 y3="-0.101284"
                                 z3="-1.733717"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/p-2/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)29-41(15,16)30-40(13,14)24-2(5)25-42(17,23-1,34-43(18,26-2,31-38)33-41)32-39(11,12,22-1)35-44(19,20,27-2,36-40)28-37(6,7)8/h9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;10;11;3;5;7/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;;s7;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3953,-2.9924,-1.8683;-.2837,.2052,-5.178;-.367,3.1258,1.6997;2.9561,-.5091,2.0169;.0545,-.0949,-3.4781;2.4316,2.6335,-.1035;-.1912,-.198,3.4858;3.9286,3.5527,.055;-.2041,.1112,5.2319;.4951,-3.047,1.8221;2.9969,-.6348,-1.8159;-.6144,3.0357,-1.6326;.6136,-.6919,-1.3127;-1.767,-.0768,-.0523;.2947,1.664,-.0085;.522,-.7079,1.3781;-1.2389,-3.2522,1.5488;.0979,1.7815,-2.8745;-1.9029,-.309,3.0828;2.9731,1.3162,-1.3597;-2.1635,2.2841,-1.4598;3.3648,-.9502,-.0495;-2.1432,2.2684,1.4559;.979,-3.2213,-.0379;.0254,1.6377,2.8858;-1.3265,-3.0518,-1.507;2.8559,1.2326,1.2528;-1.7153,-.2392,-2.7204;1.947,.0037,-3.4541;-.8836,4.4152,-2.7054;1.496,3.6537,-1.2818;.2187,-2.1056,3.5357;2.4297,-2.3613,-2.2288;-.7667,4.0948,.1017;2.4782,-2.3232,2.0688;-.1721,-.0153,.0136;.9727,-4.6356,2.4389;2.0552,-.0606,3.538;.1344,-2.0256,-3.5574;1.5008,3.4825,1.4729;.7126,-4.6135,-2.4992;4.5953,-.666,-2.5553;-.8295,4.3602,2.8642;4.6355,-.6015,2.5422;-2.0767,1.368,.9828;-2.0024,-.1013,-1.7337;/R:/0/N:12,4,21,30,44,13,14,15,28,2,23,43,17,37,26,41,8,42,9,19,18,34,31,35,27,22,38,16,39,24,29,40,33,20,25,32,36,5,3,10,1,6,11,7/E:(3,4)(6,7,8)(13,14)(15,16)(19,20)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1</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">-14.83990658</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03499417</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">0.00921314</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">0.03499417</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00921314</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03378213</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">0.00772121</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="0.398766"
                                 y3="-2.995343"
                                 z3="-1.866909"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.288955"
                                 y3="0.204633"
                                 z3="-5.175299"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.382932"
                                 y3="3.119803"
                                 z3="1.695956"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.958072"
                                 y3="-0.51508"
                                 z3="2.013041"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.048829"
                                 y3="-0.092526"
                                 z3="-3.47395"/>
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                                 x3="2.428416"
                                 y3="2.632472"
                                 z3="-0.097744"/>
                           <atom elementType="W"
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                                 x3="-0.177101"
                                 y3="-0.192322"
                                 z3="3.492895"/>
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                                 x3="3.924668"
                                 y3="3.552951"
                                 z3="0.060231"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-0.190006"
                                 y3="0.10385"
                                 z3="5.241132"/>
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                                 id="a10"
                                 x3="0.494318"
                                 y3="-3.046595"
                                 z3="1.824174"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.994133"
                                 y3="-0.633489"
                                 z3="-1.820823"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.607158"
                                 y3="3.046594"
                                 z3="-1.644313"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.613409"
                                 y3="-0.688001"
                                 z3="-1.316364"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.766586"
                                 y3="-0.080138"
                                 z3="-0.060435"/>
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                                 y3="1.663506"
                                 z3="-0.014572"/>
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                                 id="a16"
                                 x3="0.523076"
                                 y3="-0.703899"
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                                 id="a17"
                                 x3="-1.240551"
                                 y3="-3.243795"
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                                 id="a18"
                                 x3="0.10487"
                                 y3="1.7857"
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                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.895414"
                                 y3="-0.294464"
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                           <atom elementType="O"
                                 id="a20"
                                 x3="2.965059"
                                 y3="1.312786"
                                 z3="-1.356248"/>
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                                 id="a21"
                                 x3="-2.159181"
                                 y3="2.292648"
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                                 id="a22"
                                 x3="3.359103"
                                 y3="-0.952967"
                                 z3="-0.050365"/>
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                                 id="a23"
                                 x3="-2.142139"
                                 y3="2.244184"
                                 z3="1.464154"/>
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                                 z3="-0.036802"/>
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                                 x3="-1.323385"
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                                 z3="1.256553"/>
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                                 z3="-2.709311"/>
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                                 id="a29"
                                 x3="1.948683"
                                 y3="-0.001418"
                                 z3="-3.456279"/>
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                                 id="a30"
                                 x3="-0.875334"
                                 y3="4.431708"
                                 z3="-2.709714"/>
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                                 id="a31"
                                 x3="1.498575"
                                 y3="3.65628"
                                 z3="-1.287443"/>
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                                 id="a32"
                                 x3="0.215269"
                                 y3="-2.103448"
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                                 y3="-2.328674"
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                                 y3="-0.014576"
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                                 y3="-0.065006"
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                                 y3="-2.023707"
                                 z3="-3.554064"/>
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                                 y3="3.482446"
                                 z3="1.467745"/>
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                                 x3="-1.992626"
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                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)30-41(14,21-1)23-2(5)22-39(10,11)29-40(12,13)31-42(15,24-2,32-41)36-43(16,17,25-1,35-40)27-37(6,7)28-44(18,19,26-2,33-38)34-39/h8,16H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;10;11;3;7;5/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOO1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s5;;;s7;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3988,-2.9953,-1.8669;-.289,.2046,-5.1753;-.3829,3.1198,1.696;2.9581,-.5151,2.013;.0488,-.0925,-3.4739;2.4284,2.6325,-.0977;-.1771,-.1923,3.4929;3.9247,3.553,.0602;-.19,.1038,5.2411;.4943,-3.0466,1.8242;2.9941,-.6335,-1.8208;-.6072,3.0466,-1.6443;.6134,-.688,-1.3164;-1.7666,-.0801,-.0604;.2943,1.6635,-.0146;.5231,-.7039,1.3808;-1.2406,-3.2438,1.5494;.1049,1.7857,-2.8819;-1.8954,-.2945,3.0923;2.9651,1.3128,-1.3562;-2.1592,2.2926,-1.4871;3.3591,-.953,-.0504;-2.1421,2.2442,1.4642;.9825,-3.2219,-.0368;.0317,1.6437,2.892;-1.3234,-3.0583,-1.5054;2.8543,1.2289,1.2566;-1.715,-.229,-2.7093;1.9487,-.0014,-3.4563;-.8753,4.4317,-2.7097;1.4986,3.6563,-1.2874;.2153,-2.1034,3.5372;2.429,-2.3638,-2.229;-.7741,4.0902,.0952;2.4754,-2.3287,2.0727;-.1696,-.0146,.0119;.9656,-4.6373,2.441;2.0584,-.065,3.5401;.1282,-2.0237,-3.5541;1.4919,3.4824,1.4677;.7172,-4.6149,-2.5013;4.5961,-.6649,-2.5529;-.8494,4.358,2.8549;4.6369,-.6076,2.5394;-2.0754,1.3342,.9831;-1.9926,-.0704,-1.7177;/R:/0/N:12,4,21,30,44,14,15,23,43,17,37,26,41,8,42,28,2,9,19,34,31,35,27,22,18,38,13,16,24,40,33,20,25,32,39,29,36,3,10,1,6,11,5,7/E:(3,4)(6,7)(10,11)(12,13)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,17.1,18.1,19.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">28</scalar>
                  <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">-14.84164461</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03425269</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">0.00881030</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">0.03425269</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00881030</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07603178</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">0.01657174</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>
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                                 y3="-3.002317"
                                 z3="-1.863031"/>
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                                 z3="-5.16402"/>
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                                 z3="1.688165"/>
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                                 y3="-0.524159"
                                 z3="2.010835"/>
                           <atom elementType="W"
                                 id="a5"
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                                 y3="-0.086909"
                                 z3="-3.462366"/>
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                                 id="a6"
                                 x3="2.428175"
                                 y3="2.632864"
                                 z3="-0.086269"/>
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                                 id="a7"
                                 x3="-0.162306"
                                 y3="-0.183681"
                                 z3="3.506105"/>
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                                 id="a8"
                                 x3="3.925369"
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                                 z3="0.078934"/>
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                                 id="a11"
                                 x3="2.98756"
                                 y3="-0.632093"
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                           <atom elementType="Mo"
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                                 x3="-0.596098"
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                                 z3="-1.661348"/>
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                                 id="a15"
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                                 y3="1.666411"
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                                 y3="-2.340357"
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                                 x3="4.595113"
                                 y3="-0.659592"
                                 z3="-2.550532"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.89329"
                                 y3="4.335918"
                                 z3="2.845823"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.638782"
                                 y3="-0.615308"
                                 z3="2.529837"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.069464"
                                 y3="1.296545"
                                 z3="0.907069"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.973994"
                                 y3="-0.080539"
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                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)30-41(14,21-1)23-2(5)22-39(10,11)29-40(12,13)31-42(15,24-2,32-41)36-43(16,17,25-1,35-40)27-37(6,7)28-44(18,19,26-2,33-38)34-39/h8,16H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;10;11;3;7;5/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOO1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s5;;;s7;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.4099,-3.0023,-1.863;-.3208,.2071,-5.164;-.4132,3.1028,1.6882;2.9581,-.5242,2.0108;.0316,-.0869,-3.4624;2.4282,2.6329,-.0863;-.1623,-.1837,3.5061;3.9254,3.5499,.0789;-.1658,.0903,5.2591;.5003,-3.0463,1.8291;2.9876,-.6321,-1.8286;-.5961,3.0749,-1.6613;.6131,-.6785,-1.3193;-1.7618,-.045,-.079;.2939,1.6664,-.0283;.5211,-.6918,1.3854;-1.2381,-3.2128,1.5462;.1083,1.7954,-2.8904;-1.8815,-.2757,3.1222;2.9449,1.3078,-1.3503;-2.1581,2.3288,-1.5217;3.3441,-.9603,-.0555;-2.1326,2.1898,1.4387;1.0003,-3.2322,-.0357;.0379,1.6487,2.9019;-1.312,-3.0644,-1.4932;2.848,1.2181,1.2637;-1.7139,-.2338,-2.6751;1.9439,-.0155,-3.4596;-.8548,4.4718,-2.7145;1.5129,3.6665,-1.2952;.2168,-2.0971,3.5419;2.4264,-2.3694,-2.2315;-.7737,4.09,.0894;2.4715,-2.3404,2.0765;-.1578,-.0038,.0117;.9477,-4.6441,2.4488;2.0649,-.0751,3.5453;.1201,-2.019,-3.548;1.4754,3.4753,1.4643;.7251,-4.6185,-2.5105;4.5951,-.6596,-2.5505;-.8933,4.3359,2.8458;4.6388,-.6153,2.5298;-2.0695,1.2965,.9071;-1.974,-.0805,-1.6668;/R:/0/N:12,4,21,30,44,14,15,23,43,17,37,26,41,8,42,28,2,9,19,34,31,35,27,22,18,38,13,16,24,40,33,20,25,32,39,29,36,3,10,1,6,11,5,7/E:(3,4)(6,7)(10,11)(12,13)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,17.1,18.1,19.1</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">-14.84523803</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03308270</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">0.00747465</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">0.03308270</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00747465</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09972068</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">0.02964878</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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                                 y3="-3.011854"
                                 z3="-1.856099"/>
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                                 z3="-5.160239"/>
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                                 z3="1.676401"/>
                           <atom elementType="Mo"
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                                 x3="2.968178"
                                 y3="-0.546201"
                                 z3="2.010002"/>
                           <atom elementType="W"
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                                 x3="0.011895"
                                 y3="-0.068341"
                                 z3="-3.455028"/>
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                                 x3="2.421932"
                                 y3="2.616035"
                                 z3="-0.057948"/>
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                                 x3="-0.123199"
                                 y3="-0.160089"
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                                 x3="0.496474"
                                 y3="-3.032547"
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                           <atom elementType="W"
                                 id="a11"
                                 x3="2.979921"
                                 y3="-0.637572"
                                 z3="-1.842248"/>
                           <atom elementType="Mo"
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                                 x3="-0.578592"
                                 y3="3.13507"
                                 z3="-1.695351"/>
                           <atom elementType="O"
                                 id="a13"
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                                 y3="-0.669156"
                                 z3="-1.321829"/>
                           <atom elementType="O"
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                                 y3="-0.063032"
                                 z3="-0.106988"/>
                           <atom elementType="O"
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                                 y3="1.658495"
                                 z3="-0.044825"/>
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                                 y3="-0.668727"
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                           <atom elementType="O"
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                                 x3="-1.244885"
                                 y3="-3.147738"
                                 z3="1.549254"/>
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                                 y3="1.813993"
                                 z3="-2.907585"/>
                           <atom elementType="O"
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                                 y3="-0.23469"
                                 z3="3.206565"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.892256"
                                 y3="1.298046"
                                 z3="-1.344455"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.168984"
                                 y3="2.413248"
                                 z3="-1.608656"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.314963"
                                 y3="-0.972189"
                                 z3="-0.059784"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.108579"
                                 y3="2.090079"
                                 z3="1.410081"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.005754"
                                 y3="-3.241044"
                                 z3="-0.031174"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.055156"
                                 y3="1.662538"
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                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.304122"
                                 y3="-3.084163"
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                           <atom elementType="O"
                                 id="a27"
                                 x3="2.835084"
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                                 x3="-1.721238"
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                           <atom elementType="O"
                                 id="a29"
                                 x3="1.941487"
                                 y3="-0.04625"
                                 z3="-3.468451"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.798813"
                                 y3="4.549032"
                                 z3="-2.732539"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.524803"
                                 y3="3.666504"
                                 z3="-1.301051"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.227361"
                                 y3="-2.077345"
                                 z3="3.553179"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.424949"
                                 y3="-2.383287"
                                 z3="-2.227618"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.793898"
                                 y3="4.068043"
                                 z3="0.075941"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.473046"
                                 y3="-2.35969"
                                 z3="2.081808"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.133503"
                                 y3="0.01177"
                                 z3="0.013901"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.901473"
                                 y3="-4.642036"
                                 z3="2.463117"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.086063"
                                 y3="-0.088494"
                                 z3="3.556416"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.116211"
                                 y3="-2.00355"
                                 z3="-3.539305"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.423236"
                                 y3="3.46215"
                                 z3="1.446185"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.748312"
                                 y3="-4.617554"
                                 z3="-2.530066"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.597088"
                                 y3="-0.650988"
                                 z3="-2.550057"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.964224"
                                 y3="4.294891"
                                 z3="2.831359"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.65316"
                                 y3="-0.619962"
                                 z3="2.513714"/>
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                                 id="a45"
                                 x3="-2.039491"
                                 y3="1.210703"
                                 z3="0.843509"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.95361"
                                 y3="-0.057062"
                                 z3="-1.646756"/>
                        </atomArray>
                        <bondArray>
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                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)30-41(14,21-1)23-2(5)22-39(10,11)29-40(12,13)31-42(15,24-2,32-41)36-43(16,17,25-1,35-40)27-37(6,7)28-44(18,19,26-2,33-38)34-39/h8,16H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;10;11;3;7;5/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOO1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s5;;;s7;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.4214,-3.0119,-1.8561;-.3506,.2069,-5.1602;-.4726,3.0626,1.6764;2.9682,-.5462,2.01;.0119,-.0683,-3.455;2.4219,2.616,-.0579;-.1232,-.1601,3.5465;3.9146,3.5396,.1167;-.0866,.0772,5.3077;.4965,-3.0325,1.8405;2.9799,-.6376,-1.8422;-.5786,3.1351,-1.6954;.6185,-.6692,-1.3218;-1.7513,-.063,-.107;.2797,1.6585,-.0448;.5165,-.6687,1.3987;-1.2449,-3.1477,1.5493;.1084,1.814,-2.9076;-1.852,-.2347,3.2066;2.8923,1.298,-1.3445;-2.169,2.4132,-1.6087;3.315,-.9722,-.0598;-2.1086,2.0901,1.4101;1.0058,-3.241,-.0312;.0552,1.6625,2.9235;-1.3041,-3.0842,-1.4906;2.8351,1.2041,1.2835;-1.7212,-.2166,-2.6698;1.9415,-.0462,-3.4685;-.7988,4.549,-2.7325;1.5248,3.6665,-1.3011;.2274,-2.0773,3.5532;2.4249,-2.3833,-2.2276;-.7939,4.068,.0759;2.473,-2.3597,2.0818;-.1335,.0118,.0139;.9015,-4.642,2.4631;2.0861,-.0885,3.5564;.1162,-2.0036,-3.5393;1.4232,3.4621,1.4462;.7483,-4.6176,-2.5301;4.5971,-.651,-2.5501;-.9642,4.2949,2.8314;4.6532,-.62,2.5137;-2.0395,1.2107,.8435;-1.9536,-.0571,-1.6468;/R:/0/N:12,4,21,30,44,14,15,23,43,17,37,26,41,8,42,28,2,9,19,34,31,35,27,22,18,38,13,16,24,40,33,20,25,32,39,29,36,3,10,1,6,11,5,7/E:(3,4)(6,7)(10,11)(12,13)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,17.1,18.1,19.1</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">-14.84978211</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03007326</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">0.00565686</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">0.03007326</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00565686</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05160400</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">0.00945472</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="0.424848"
                                 y3="-3.019842"
                                 z3="-1.860346"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.369384"
                                 y3="0.203995"
                                 z3="-5.148571"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.470817"
                                 y3="3.062762"
                                 z3="1.676147"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.96712"
                                 y3="-0.543096"
                                 z3="2.011921"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.006622"
                                 y3="-0.071715"
                                 z3="-3.446451"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.423724"
                                 y3="2.617972"
                                 z3="-0.060351"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.131378"
                                 y3="-0.166916"
                                 z3="3.547233"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.921768"
                                 y3="3.535833"
                                 z3="0.113983"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-0.086846"
                                 y3="0.082185"
                                 z3="5.306521"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.498611"
                                 y3="-3.03784"
                                 z3="1.838327"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.97964"
                                 y3="-0.637161"
                                 z3="-1.839714"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.579422"
                                 y3="3.142261"
                                 z3="-1.69492"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.61809"
                                 y3="-0.673076"
                                 z3="-1.318407"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.750416"
                                 y3="-0.024908"
                                 z3="-0.101703"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.282752"
                                 y3="1.661954"
                                 z3="-0.044104"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.509405"
                                 y3="-0.669071"
                                 z3="1.399054"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.240889"
                                 y3="-3.153628"
                                 z3="1.540401"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.100977"
                                 y3="1.8150"
                                 z3="-2.902179"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.862843"
                                 y3="-0.249563"
                                 z3="3.221425"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.890402"
                                 y3="1.299039"
                                 z3="-1.343281"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.173284"
                                 y3="2.435455"
                                 z3="-1.599134"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.315321"
                                 y3="-0.973752"
                                 z3="-0.061002"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.108928"
                                 y3="2.094499"
                                 z3="1.396715"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.006922"
                                 y3="-3.244544"
                                 z3="-0.033857"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.053712"
                                 y3="1.65866"
                                 z3="2.923822"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.300703"
                                 y3="-3.092442"
                                 z3="-1.495863"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.835405"
                                 y3="1.205482"
                                 z3="1.280793"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.714753"
                                 y3="-0.231434"
                                 z3="-2.6468"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="1.935138"
                                 y3="-0.038244"
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                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.78755"
                                 y3="4.550418"
                                 z3="-2.742223"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.529933"
                                 y3="3.6668"
                                 z3="-1.29898"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.230875"
                                 y3="-2.083209"
                                 z3="3.549064"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.425974"
                                 y3="-2.381589"
                                 z3="-2.227221"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.781707"
                                 y3="4.076515"
                                 z3="0.075284"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.471097"
                                 y3="-2.356347"
                                 z3="2.077107"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.13437"
                                 y3="0.013292"
                                 z3="0.014562"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.901003"
                                 y3="-4.648121"
                                 z3="2.459168"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.086915"
                                 y3="-0.089008"
                                 z3="3.554652"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.122151"
                                 y3="-2.007924"
                                 z3="-3.540675"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.423548"
                                 y3="3.461691"
                                 z3="1.444496"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.752986"
                                 y3="-4.626025"
                                 z3="-2.531207"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.595332"
                                 y3="-0.642864"
                                 z3="-2.551894"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.971653"
                                 y3="4.289395"
                                 z3="2.835811"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.65401"
                                 y3="-0.616674"
                                 z3="2.512357"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.050188"
                                 y3="1.240556"
                                 z3="0.791905"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.937353"
                                 y3="-0.093871"
                                 z3="-1.618921"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a5 a13" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)30-41(14,21-1)23-2(5)22-39(10,11)29-40(12,13)31-42(15,24-2,32-41)36-43(16,17,25-1,35-40)27-37(6,7)28-44(18,19,26-2,33-38)34-39/h8,16H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;10;11;3;7;5/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOO1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s5;;;s7;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.4248,-3.0198,-1.8603;-.3694,.204,-5.1486;-.4708,3.0628,1.6761;2.9671,-.5431,2.0119;.0066,-.0717,-3.4465;2.4237,2.618,-.0604;-.1314,-.1669,3.5472;3.9218,3.5358,.114;-.0868,.0822,5.3065;.4986,-3.0378,1.8383;2.9796,-.6372,-1.8397;-.5794,3.1423,-1.6949;.6181,-.6731,-1.3184;-1.7504,-.0249,-.1017;.2828,1.662,-.0441;.5094,-.6691,1.3991;-1.2409,-3.1536,1.5404;.101,1.815,-2.9022;-1.8628,-.2496,3.2214;2.8904,1.299,-1.3433;-2.1733,2.4355,-1.5991;3.3153,-.9738,-.061;-2.1089,2.0945,1.3967;1.0069,-3.2445,-.0339;.0537,1.6587,2.9238;-1.3007,-3.0924,-1.4959;2.8354,1.2055,1.2808;-1.7148,-.2314,-2.6468;1.9351,-.0382,-3.4629;-.7875,4.5504,-2.7422;1.5299,3.6668,-1.299;.2309,-2.0832,3.5491;2.426,-2.3816,-2.2272;-.7817,4.0765,.0753;2.4711,-2.3563,2.0771;-.1344,.0133,.0146;.901,-4.6481,2.4592;2.0869,-.089,3.5547;.1222,-2.0079,-3.5407;1.4235,3.4617,1.4445;.753,-4.626,-2.5312;4.5953,-.6429,-2.5519;-.9717,4.2894,2.8358;4.654,-.6167,2.5124;-2.0502,1.2406,.7919;-1.9374,-.0939,-1.6189;/R:/0/N:12,4,21,30,44,14,15,23,43,17,37,26,41,8,42,28,2,9,19,34,31,35,27,22,18,38,13,16,24,40,33,20,25,32,39,29,36,3,10,1,6,11,5,7/E:(3,4)(6,7)(10,11)(12,13)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,17.1,18.1,19.1</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">-14.85109958</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02726094</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">0.00514449</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">0.02726094</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00514449</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06673613</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">0.01367478</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="0.420332"
                                 y3="-3.030766"
                                 z3="-1.867637"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.369152"
                                 y3="0.194382"
                                 z3="-5.151959"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.475065"
                                 y3="3.054717"
                                 z3="1.679683"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.975602"
                                 y3="-0.546709"
                                 z3="2.01518"/>
                           <atom elementType="W"
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                                 x3="0.008542"
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                                 z3="-3.449635"/>
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                                 y3="-0.17132"
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                                 x3="3.926585"
                                 y3="3.526137"
                                 z3="0.105613"/>
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                                 id="a9"
                                 x3="-0.050176"
                                 y3="0.102065"
                                 z3="5.319776"/>
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                                 x3="0.486209"
                                 y3="-3.036141"
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                                 id="a11"
                                 x3="2.979718"
                                 y3="-0.643954"
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                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.581781"
                                 y3="3.167503"
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                           <atom elementType="O"
                                 id="a13"
                                 x3="0.6184"
                                 y3="-0.688412"
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                                 y3="-0.017542"
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                                 y3="1.656144"
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                                 y3="-0.674393"
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                                 z3="-2.670336"/>
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                                 id="a30"
                                 x3="-0.747235"
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                                 id="a31"
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                                 y3="-2.351847"
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                                 y3="-0.088622"
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                                 y3="-2.009123"
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                                 x3="1.406818"
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                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/p-2/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)29-41(15,16)30-40(13,14)24-2(5)25-42(17,23-1,34-43(18,26-2,31-38)33-41)32-39(11,12,22-1)35-44(19,20,27-2,36-40)28-37(6,7)8/h9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;10;11;3;5;7/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;;s7;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.4203,-3.0308,-1.8676;-.3692,.1944,-5.152;-.4751,3.0547,1.6797;2.9756,-.5467,2.0152;.0085,-.0693,-3.4496;2.4239,2.6074,-.0558;-.1298,-.1713,3.5679;3.9266,3.5261,.1056;-.0502,.1021,5.3198;.4862,-3.0361,1.8389;2.9797,-.644,-1.8321;-.5818,3.1675,-1.6986;.6184,-.6884,-1.3091;-1.7536,-.0175,-.0917;.2789,1.6561,-.0324;.4948,-.6744,1.4054;-1.2493,-3.1575,1.5384;.0872,1.8173,-2.897;-1.8672,-.2674,3.2882;2.8667,1.2977,-1.3444;-2.1926,2.4956,-1.6103;3.3122,-.9736,-.0566;-2.1102,2.0913,1.3839;.9826,-3.2436,-.0354;.063,1.6563,2.9317;-1.3087,-3.1204,-1.5279;2.8343,1.2144,1.2813;-1.7195,-.232,-2.6703;1.9336,-.0279,-3.4545;-.7472,4.5606,-2.7705;1.521,3.6522,-1.2874;.246,-2.0856,3.5481;2.4317,-2.3827,-2.2183;-.7796,4.0753,.0698;2.4784,-2.3518,2.0675;-.1404,.0108,.0186;.8896,-4.6452,2.4602;2.0998,-.0886,3.5499;.1403,-2.0091,-3.5443;1.4068,3.4652,1.4348;.771,-4.6333,-2.534;4.5943,-.6247,-2.5477;-.9836,4.2787,2.8428;4.666,-.6023,2.5074;-2.0439,1.2415,.7805;-1.9236,-.1001,-1.648;/R:/0/N:12,4,21,30,44,13,14,15,28,2,23,43,17,37,26,41,8,42,9,19,18,34,31,35,27,22,38,16,39,24,29,40,33,20,25,32,36,5,3,10,1,6,11,7/E:(3,4)(6,7,8)(13,14)(15,16)(19,20)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <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">-14.85370804</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02216972</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">0.00458516</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">0.02216972</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00458516</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07768194</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">0.01545224</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>
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                                 z3="-1.868257"/>
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                                 z3="-5.138638"/>
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                                 z3="2.016177"/>
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                                 x3="-0.00027"
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                                 z3="-3.437625"/>
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                                 z3="-0.045296"/>
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                                 id="a7"
                                 x3="-0.124093"
                                 y3="-0.175735"
                                 z3="3.581552"/>
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                                 x3="3.923498"
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                                 z3="0.110741"/>
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                                 y3="-0.645358"
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                                 x3="4.587611"
                                 y3="-0.609056"
                                 z3="-2.554652"/>
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                                 x3="-1.01044"
                                 y3="4.256733"
                                 z3="2.838166"/>
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                                 x3="4.677506"
                                 y3="-0.595963"
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                                 id="a45"
                                 x3="-2.022486"
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                                 y3="-0.101117"
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                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/p-2/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)29-41(15,16)30-40(13,14)24-2(5)25-42(17,23-1,34-43(18,26-2,31-38)33-41)32-39(11,12,22-1)35-44(19,20,27-2,36-40)28-37(6,7)8/h9,11H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;10;11;3;5;7/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;;s7;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.4191,-3.0429,-1.8683;-.3856,.18,-5.1386;-.4866,3.0382,1.6778;2.9879,-.5509,2.0162;-.0003,-.0663,-3.4376;2.4212,2.6009,-.0453;-.1241,-.1757,3.5816;3.9235,3.5219,.1107;-.0101,.1105,5.3268;.4785,-3.0377,1.8405;2.9778,-.6454,-1.8308;-.5765,3.2006,-1.7075;.6176,-.6956,-1.2986;-1.7567,-.0351,-.1038;.2794,1.6501,-.0245;.4817,-.6767,1.4105;-1.2547,-3.1592,1.5348;.0734,1.8229,-2.8907;-1.8674,-.2879,3.3375;2.8478,1.2987,-1.3439;-2.2095,2.5725,-1.6363;3.3133,-.9728,-.0545;-2.1027,2.076,1.354;.969,-3.2404,-.0335;.0617,1.6495,2.9353;-1.3116,-3.1426,-1.538;2.8348,1.219,1.2879;-1.7297,-.2218,-2.6592;1.9233,-.0202,-3.4481;-.6985,4.582,-2.7979;1.5163,3.6489,-1.2773;.2555,-2.0897,3.5467;2.434,-2.3831,-2.2139;-.7746,4.077,.0624;2.4838,-2.3505,2.0593;-.1386,.0109,.0209;.8827,-4.6453,2.4617;2.1114,-.09,3.5502;.1429,-2.0114,-3.5341;1.3893,3.4638,1.4351;.785,-4.6437,-2.5271;4.5876,-.6091,-2.5547;-1.0104,4.2567,2.8382;4.6775,-.596,2.5073;-2.0225,1.2518,.7028;-1.9042,-.1011,-1.6338;/R:/0/N:12,4,21,30,44,13,14,15,28,2,23,43,17,37,26,41,8,42,9,19,18,34,31,35,27,22,38,16,39,24,29,40,33,20,25,32,36,5,3,10,1,6,11,7/E:(3,4)(6,7,8)(13,14)(15,16)(19,20)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1</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">-14.85491705</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01648019</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">0.00429348</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">0.01648019</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00429348</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05791706</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">0.00883381</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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                           <atom elementType="W"
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                                 y3="-0.646559"
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                           <atom elementType="O"
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                                 z3="-1.638263"/>
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                                 z3="-1.27673"/>
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                                 x3="0.256068"
                                 y3="-2.087746"
                                 z3="3.551563"/>
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                                 id="a33"
                                 x3="2.435538"
                                 y3="-2.383732"
                                 z3="-2.214138"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.783281"
                                 y3="4.07238"
                                 z3="0.062583"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.487129"
                                 y3="-2.352421"
                                 z3="2.060633"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.140417"
                                 y3="0.009016"
                                 z3="0.021041"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.88456"
                                 y3="-4.640904"
                                 z3="2.464963"/>
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                                 id="a38"
                                 x3="2.11132"
                                 y3="-0.090434"
                                 z3="3.54808"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.143515"
                                 y3="-2.009993"
                                 z3="-3.535789"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.393518"
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                                 z3="1.436076"/>
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                                 x3="0.78297"
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                                 x3="4.589021"
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                                 z3="-2.549224"/>
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                                 x3="-1.001134"
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                                 x3="-2.03245"
                                 y3="1.229195"
                                 z3="0.760696"/>
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                                 id="a46"
                                 x3="-1.91587"
                                 y3="-0.087428"
                                 z3="-1.672604"/>
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                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
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                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
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                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
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                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2/rH2Mo2O30W7.O4Si/c3-1(4)18-33(6,7)25-35(10,11)21-2(5)22-36(12,13,26-35)28-37(14,15)27-34(8,9,19-1)30-39(17,24-2,31-37)32-38(16,20-1,23-2)29-33;1-5(2,3)4/h6,8H;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1O1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.415,-3.0373,-1.868;-.3611,.1811,-5.1554;-.4818,3.0403,1.6802;2.989,-.5538,2.0147;.0087,-.0645,-3.451;2.423,2.6003,-.0459;-.1221,-.1737,3.5832;3.9235,3.5249,.101;-.0103,.1123,5.3289;.4744,-3.0348,1.8422;2.9776,-.6466,-1.8295;-.5795,3.1946,-1.7063;.6158,-.6969,-1.3004;-1.7538,-.02,-.0971;.2808,1.6473,-.0194;.4833,-.6822,1.4107;-1.2598,-3.1607,1.5435;.0765,1.8182,-2.8947;-1.865,-.2873,3.3391;2.849,1.2976,-1.3453;-2.2138,2.5592,-1.6383;3.3146,-.9697,-.0515;-2.1059,2.0772,1.3774;.9646,-3.2392,-.032;.0644,1.65,2.9356;-1.3158,-3.14,-1.5418;2.8357,1.2215,1.2874;-1.7344,-.2161,-2.6959;1.931,-.0238,-3.451;-.7072,4.5758,-2.7963;1.5069,3.6447,-1.2767;.2561,-2.0877,3.5516;2.4355,-2.3837,-2.2141;-.7833,4.0724,.0626;2.4871,-2.3524,2.0606;-.1404,.009,.021;.8846,-4.6409,2.465;2.1113,-.0904,3.5481;.1435,-2.01,-3.5358;1.3935,3.4682,1.4361;.783,-4.6382,-2.5267;4.589,-.6127,-2.5492;-1.0011,4.2638,2.8372;4.6779,-.5966,2.5082;-2.0324,1.2292,.7607;-1.9159,-.0874,-1.6726;/R:/0/N:12,4,21,30,44,23,43,28,2,9,19,17,37,26,41,8,42,34,18,31,38,35,27,22,25,32,39,24,40,29,33,20,3,5,7,10,1,6,11;13,14,15,16,36/E:(3,4)(10,11)(12,13)(14,15);(1,2,3,4)/CRV:3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1;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">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">-14.85554067</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01850744</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">0.00384281</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">0.01850744</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00384281</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01984652</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">0.00490507</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="0.410772"
                                 y3="-3.035778"
                                 z3="-1.864113"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.357168"
                                 y3="0.177526"
                                 z3="-5.1583"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.480539"
                                 y3="3.03597"
                                 z3="1.677773"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="2.995081"
                                 y3="-0.558102"
                                 z3="2.011377"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.008794"
                                 y3="-0.062491"
                                 z3="-3.45261"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.424701"
                                 y3="2.601014"
                                 z3="-0.042049"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.122037"
                                 y3="-0.175114"
                                 z3="3.582377"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.922941"
                                 y3="3.529986"
                                 z3="0.094274"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-0.013579"
                                 y3="0.108107"
                                 z3="5.3291"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.470636"
                                 y3="-3.03517"
                                 z3="1.843982"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.975822"
                                 y3="-0.64465"
                                 z3="-1.82965"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.579277"
                                 y3="3.201206"
                                 z3="-1.709148"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.613334"
                                 y3="-0.698916"
                                 z3="-1.296922"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.755428"
                                 y3="-0.013313"
                                 z3="-0.102537"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.28645"
                                 y3="1.645501"
                                 z3="-0.011106"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.479803"
                                 y3="-0.69127"
                                 z3="1.410227"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.264123"
                                 y3="-3.165556"
                                 z3="1.550478"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.073365"
                                 y3="1.815285"
                                 z3="-2.893876"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.863195"
                                 y3="-0.299046"
                                 z3="3.340483"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.849467"
                                 y3="1.298473"
                                 z3="-1.345033"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.219139"
                                 y3="2.57907"
                                 z3="-1.646613"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.319618"
                                 y3="-0.963633"
                                 z3="-0.049103"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.103578"
                                 y3="2.070108"
                                 z3="1.369485"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.963578"
                                 y3="-3.237979"
                                 z3="-0.028072"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.060638"
                                 y3="1.645093"
                                 z3="2.932315"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.319496"
                                 y3="-3.139244"
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                           <atom elementType="O"
                                 id="a27"
                                 x3="2.83905"
                                 y3="1.225299"
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                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.740154"
                                 y3="-0.211849"
                                 z3="-2.698807"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="1.930369"
                                 y3="-0.024585"
                                 z3="-3.451068"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.702341"
                                 y3="4.579091"
                                 z3="-2.803278"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.497553"
                                 y3="3.642843"
                                 z3="-1.273643"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.259244"
                                 y3="-2.088557"
                                 z3="3.555935"/>
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                                 id="a33"
                                 x3="2.436858"
                                 y3="-2.382678"
                                 z3="-2.214917"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.7854"
                                 y3="4.073939"
                                 z3="0.059126"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.492276"
                                 y3="-2.354452"
                                 z3="2.059029"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.141314"
                                 y3="0.009032"
                                 z3="0.022313"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.888677"
                                 y3="-4.639345"
                                 z3="2.467393"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.112447"
                                 y3="-0.093466"
                                 z3="3.5436"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.138263"
                                 y3="-2.009899"
                                 z3="-3.528162"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.396297"
                                 y3="3.472928"
                                 z3="1.442147"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.779191"
                                 y3="-4.637981"
                                 z3="-2.519841"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.586166"
                                 y3="-0.611247"
                                 z3="-2.550439"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-1.007104"
                                 y3="4.260825"
                                 z3="2.830056"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.682361"
                                 y3="-0.599137"
                                 z3="2.509855"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.023712"
                                 y3="1.212472"
                                 z3="0.756697"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.904368"
                                 y3="-0.06941"
                                 z3="-1.673558"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-2/rH2Mo2O30W7.O4Si/c3-1(4)18-33(6,7)25-35(10,11)21-2(5)22-36(12,13,26-35)28-37(14,15)27-34(8,9,19-1)30-39(17,24-2,31-37)32-38(16,20-1,23-2)29-33;1-5(2,3)4/h6,8H;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1O1O1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.4108,-3.0358,-1.8641;-.3572,.1775,-5.1583;-.4805,3.036,1.6778;2.9951,-.5581,2.0114;.0088,-.0625,-3.4526;2.4247,2.601,-.042;-.122,-.1751,3.5824;3.9229,3.53,.0943;-.0136,.1081,5.3291;.4706,-3.0352,1.844;2.9758,-.6446,-1.8296;-.5793,3.2012,-1.7091;.6133,-.6989,-1.2969;-1.7554,-.0133,-.1025;.2864,1.6455,-.0111;.4798,-.6913,1.4102;-1.2641,-3.1656,1.5505;.0734,1.8153,-2.8939;-1.8632,-.299,3.3405;2.8495,1.2985,-1.345;-2.2191,2.5791,-1.6466;3.3196,-.9636,-.0491;-2.1036,2.0701,1.3695;.9636,-3.238,-.0281;.0606,1.6451,2.9323;-1.3195,-3.1392,-1.5353;2.839,1.2253,1.2901;-1.7402,-.2118,-2.6988;1.9304,-.0246,-3.4511;-.7023,4.5791,-2.8033;1.4976,3.6428,-1.2736;.2592,-2.0886,3.5559;2.4369,-2.3827,-2.2149;-.7854,4.0739,.0591;2.4923,-2.3545,2.059;-.1413,.009,.0223;.8887,-4.6393,2.4674;2.1124,-.0935,3.5436;.1383,-2.0099,-3.5282;1.3963,3.4729,1.4421;.7792,-4.638,-2.5198;4.5862,-.6112,-2.5504;-1.0071,4.2608,2.8301;4.6824,-.5991,2.5099;-2.0237,1.2125,.7567;-1.9044,-.0694,-1.6736;/R:/0/N:12,4,21,30,44,23,43,28,2,9,19,17,37,26,41,8,42,34,18,31,38,35,27,22,25,32,39,24,40,29,33,20,3,5,7,10,1,6,11;13,14,15,16,36/E:(3,4)(10,11)(12,13)(14,15);(1,2,3,4)/CRV:3.1,4.1,5.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1;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">35</scalar>
                  <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">-14.85645749</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01557129</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">0.00316509</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">0.01557129</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00316509</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06583297</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">0.01405570</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="0.400025"
                                 y3="-3.033137"
                                 z3="-1.854849"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.338908"
                                 y3="0.165742"
                                 z3="-5.165243"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.477002"
                                 y3="3.022953"
                                 z3="1.673359"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.017557"
                                 y3="-0.570871"
                                 z3="2.002447"/>
                           <atom elementType="W"
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                                 x3="0.012962"
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                                 z3="-3.455395"/>
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                                 z3="-0.03169"/>
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                                 y3="-0.179909"
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                                 x3="3.913826"
                                 y3="3.543818"
                                 z3="0.075217"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-0.001983"
                                 y3="0.098995"
                                 z3="5.330504"/>
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                                 x3="0.461697"
                                 y3="-3.035812"
                                 z3="1.848968"/>
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                                 id="a11"
                                 x3="2.973103"
                                 y3="-0.64037"
                                 z3="-1.827814"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.584183"
                                 y3="3.225671"
                                 z3="-1.716774"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.607435"
                                 y3="-0.703984"
                                 z3="-1.288264"/>
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                                 y3="1.639328"
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                                 y3="-0.714282"
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                                 y3="-3.179058"
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                                 y3="1.806678"
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                                 y3="-0.33767"
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                                 x3="2.851381"
                                 y3="1.299607"
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                                 y3="-0.94712"
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                                 z3="-2.722312"/>
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                                 id="a30"
                                 x3="-0.679947"
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                                 z3="-2.823503"/>
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                                 id="a31"
                                 x3="1.467302"
                                 y3="3.634707"
                                 z3="-1.26462"/>
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                                 x3="2.507752"
                                 y3="-2.360372"
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                                 y3="0.011103"
                                 z3="0.025461"/>
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                                 y3="-2.010233"
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                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h9,19H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;5;3/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1OO1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.4,-3.0331,-1.8548;-.3389,.1657,-5.1652;-.477,3.023,1.6734;3.0176,-.5709,2.0024;.013,-.0554,-3.4554;2.4248,2.6003,-.0317;-.1189,-.1799,3.583;3.9138,3.5438,.0752;-.002,.099,5.3305;.4617,-3.0358,1.849;2.9731,-.6404,-1.8278;-.5842,3.2257,-1.7168;.6074,-.704,-1.2883;-1.7496,-.0085,-.1148;.3008,1.6393,.0163;.4675,-.7143,1.4128;-1.2742,-3.1791,1.5694;.0583,1.8067,-2.887;-1.8623,-.3377,3.3551;2.8514,1.2996,-1.3438;-2.2496,2.6449,-1.668;3.3376,-.9471,-.042;-2.0974,2.0641,1.3687;.9589,-3.231,-.0178;.048,1.6301,2.9266;-1.3291,-3.1369,-1.5185;2.8493,1.2328,1.2975;-1.7558,-.1902,-2.7223;1.9306,-.0298,-3.449;-.6799,4.5938,-2.8235;1.4673,3.6347,-1.2646;.269,-2.0938,3.5671;2.4407,-2.3805,-2.213;-.7924,4.077,.0527;2.5078,-2.3604,2.0528;-.1326,.0111,.0255;.8992,-4.6358,2.4712;2.1197,-.1041,3.531;.1246,-2.0102,-3.5052;1.4028,3.4824,1.4587;.7686,-4.6389,-2.502;4.5795,-.6107,-2.5526;-1.0215,4.2534,2.8104;4.6988,-.6112,2.5174;-2.0347,1.2177,.702;-1.8795,-.0647,-1.6845;/R:/0/N:12,4,21,30,44,13,14,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(6,7,8)(11,12)(13,14)(15,16)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,20.1</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">-14.85782242</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01070254</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">0.00301869</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">0.01070254</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00301869</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02529652</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">0.00501477</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>
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                                 z3="-1.853239"/>
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                                 z3="-5.162759"/>
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                                 y3="-0.571955"
                                 z3="2.000361"/>
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                                 y3="2.600621"
                                 z3="-0.028157"/>
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                                 id="a7"
                                 x3="-0.116759"
                                 y3="-0.178886"
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                                 x3="-0.58314"
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                                 z3="-2.552042"/>
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                                 x3="-1.029954"
                                 y3="4.24641"
                                 z3="2.808113"/>
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                                 id="a44"
                                 x3="4.700111"
                                 y3="-0.614214"
                                 z3="2.515399"/>
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                                 x3="-2.009406"
                                 y3="1.193585"
                                 z3="0.688452"/>
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                                 id="a46"
                                 x3="-1.870192"
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                        <bondArray>
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                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)29-40(12,13)30-39(10,11)22-2(5)23-41(14,21-1,33-42(15,24-2,31-38)32-40)35-43(16,17,25-1)27-37(6,7)28-44(18,19,26-2,34-39)36-43/h8,16H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;10;11;5;7;3/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1OOO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;s7;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3962,-3.0311,-1.8532;-.3446,.1696,-5.1628;-.4816,3.0182,1.6695;3.0182,-.572,2.0004;.0103,-.0535,-3.4536;2.4228,2.6006,-.0282;-.1168,-.1789,3.5844;3.9104,3.5476,.0787;-.0013,.101,5.3322;.462,-3.0346,1.8506;2.9714,-.639,-1.8289;-.5831,3.2268,-1.7199;.6065,-.7025,-1.2882;-1.7526,.0039,-.1164;.3013,1.6394,.0179;.4652,-.7137,1.414;-1.2741,-3.1788,1.5738;.0597,1.8085,-2.8873;-1.8577,-.338,3.3518;2.8535,1.3005,-1.3415;-2.2464,2.6445,-1.6725;3.336,-.946,-.0415;-2.0917,2.049,1.3455;.9595,-3.2306,-.0167;.0452,1.6301,2.9279;-1.332,-3.1308,-1.5129;2.8497,1.2333,1.299;-1.7541,-.185,-2.713;1.9306,-.0302,-3.4495;-.6814,4.5968,-2.8237;1.4684,3.6327,-1.2648;.2728,-2.0934,3.5696;2.4373,-2.3799,-2.209;-.7931,4.0752,.0507;2.5076,-2.3604,2.054;-.1341,.0128,.0275;.8989,-4.6357,2.471;2.1201,-.1044,3.529;.1221,-2.0088,-3.5059;1.4001,3.4812,1.4592;.7609,-4.6372,-2.5023;4.5793,-.6134,-2.552;-1.03,4.2464,2.8081;4.7001,-.6142,2.5154;-2.0094,1.1936,.6885;-1.8702,-.0587,-1.6747;/R:/0/N:12,4,21,30,44,13,14,28,2,17,37,26,41,8,42,23,43,9,19,18,31,35,27,22,34,38,15,16,39,24,29,33,20,32,40,25,36,5,10,1,6,11,3,7/E:(3,4)(6,7)(10,11)(12,13)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,17.1,18.1,19.1</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">-14.85811233</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00888619</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">0.00241017</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">0.00888619</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00241017</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01153505</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">0.00342181</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">
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                           <atom elementType="O"
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                                 z3="-1.266378"/>
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                                 x3="0.277595"
                                 y3="-2.093718"
                                 z3="3.57131"/>
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                                 id="a33"
                                 x3="2.434856"
                                 y3="-2.380057"
                                 z3="-2.202422"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.795737"
                                 y3="4.072588"
                                 z3="0.050053"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.510544"
                                 y3="-2.360972"
                                 z3="2.055786"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.134443"
                                 y3="0.012722"
                                 z3="0.030043"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.9021"
                                 y3="-4.634199"
                                 z3="2.469828"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.118813"
                                 y3="-0.104726"
                                 z3="3.52464"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.12042"
                                 y3="-2.005221"
                                 z3="-3.509525"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.398737"
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                                 z3="1.454959"/>
                           <atom elementType="O"
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                                 x3="0.749359"
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                                 z3="-2.505579"/>
                           <atom elementType="O"
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                                 z3="-2.549023"/>
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                                 id="a43"
                                 x3="-1.026703"
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                                 z3="2.808108"/>
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                                 x3="4.701802"
                                 y3="-0.615816"
                                 z3="2.514402"/>
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                                 x3="-2.009275"
                                 y3="1.183675"
                                 z3="0.691765"/>
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                                 id="a46"
                                 x3="-1.860485"
                                 y3="-0.055299"
                                 z3="-1.674379"/>
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                        <bondArray>
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                           <bond atomRefs2="a1 a33" order="S"/>
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                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
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                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)29-40(12,13)30-39(10,11)22-2(5)23-41(14,21-1,33-42(15,24-2,31-38)32-40)35-43(16,17,25-1)27-37(6,7)28-44(18,19,26-2,34-39)36-43/h8,16H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;10;11;5;7;3/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1OOO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;s7;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3909,-3.0257,-1.8512;-.3436,.1785,-5.1636;-.4827,3.019,1.6665;3.019,-.5736,1.9993;.0124,-.0507,-3.4556;2.42,2.5982,-.0278;-.1168,-.1788,3.5845;3.9053,3.5506,.0785;-.006,.1039,5.3324;.4637,-3.0327,1.8512;2.9724,-.6397,-1.8285;-.5872,3.2248,-1.7221;.6079,-.7027,-1.2889;-1.753,.0025,-.1166;.2991,1.6391,.0209;.4639,-.7162,1.4146;-1.2725,-3.1817,1.5791;.0621,1.8097,-2.8869;-1.8548,-.3398,3.3419;2.8577,1.2999,-1.3407;-2.2441,2.6361,-1.6777;3.3362,-.9445,-.0404;-2.0914,2.0464,1.3422;.9599,-3.2303,-.0166;.044,1.6317,2.9297;-1.3359,-3.1197,-1.5062;2.8498,1.2331,1.2975;-1.7499,-.1842,-2.7086;1.9341,-.0317,-3.4493;-.6859,4.5979,-2.8213;1.4673,3.6255,-1.2664;.2776,-2.0937,3.5713;2.4349,-2.3801,-2.2024;-.7957,4.0726,.0501;2.5105,-2.361,2.0558;-.1344,.0127,.03;.9021,-4.6342,2.4698;2.1188,-.1047,3.5246;.1204,-2.0052,-3.5095;1.3987,3.4799,1.455;.7494,-4.6311,-2.5056;4.5823,-.6199,-2.549;-1.0267,4.2479,2.8081;4.7018,-.6158,2.5144;-2.0093,1.1837,.6918;-1.8605,-.0553,-1.6744;/R:/0/N:12,4,21,30,44,13,14,28,2,17,37,26,41,8,42,23,43,9,19,18,31,35,27,22,34,38,15,16,39,24,29,33,20,32,40,25,36,5,10,1,6,11,3,7/E:(3,4)(6,7)(10,11)(12,13)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,17.1,18.1,19.1</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">-14.85838130</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00758421</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">0.00186043</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">0.00758421</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00186043</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02676519</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">0.00741447</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="0.378251"
                                 y3="-3.013581"
                                 z3="-1.846697"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.333252"
                                 y3="0.193184"
                                 z3="-5.167312"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.486807"
                                 y3="3.015772"
                                 z3="1.660681"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.026792"
                                 y3="-0.579664"
                                 z3="1.996199"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.018972"
                                 y3="-0.043255"
                                 z3="-3.460297"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.413572"
                                 y3="2.594368"
                                 z3="-0.024068"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.110718"
                                 y3="-0.177291"
                                 z3="3.587294"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.891115"
                                 y3="3.561265"
                                 z3="0.078628"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="-0.006105"
                                 y3="0.109025"
                                 z3="5.335065"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.465268"
                                 y3="-3.028054"
                                 z3="1.854955"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.974376"
                                 y3="-0.640874"
                                 z3="-1.827207"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.596278"
                                 y3="3.225851"
                                 z3="-1.72812"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.609092"
                                 y3="-0.701884"
                                 z3="-1.28972"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.749313"
                                 y3="-0.000647"
                                 z3="-0.114962"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.298729"
                                 y3="1.636229"
                                 z3="0.030578"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.460062"
                                 y3="-0.722752"
                                 z3="1.417197"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.271883"
                                 y3="-3.185241"
                                 z3="1.594524"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.066898"
                                 y3="1.813319"
                                 z3="-2.885545"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.846541"
                                 y3="-0.34553"
                                 z3="3.332044"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.866991"
                                 y3="1.298288"
                                 z3="-1.338045"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.249615"
                                 y3="2.625088"
                                 z3="-1.693308"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.339771"
                                 y3="-0.941966"
                                 z3="-0.036564"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.088651"
                                 y3="2.038603"
                                 z3="1.339418"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.955303"
                                 y3="-3.226884"
                                 z3="-0.0150"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.041631"
                                 y3="1.633972"
                                 z3="2.935752"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.34657"
                                 y3="-3.094539"
                                 z3="-1.492137"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.853452"
                                 y3="1.232325"
                                 z3="1.296411"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.745032"
                                 y3="-0.169663"
                                 z3="-2.717659"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="1.941925"
                                 y3="-0.035141"
                                 z3="-3.448353"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.691508"
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                                 z3="-2.819412"/>
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                                 id="a31"
                                 x3="1.460603"
                                 y3="3.61188"
                                 z3="-1.268743"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.288954"
                                 y3="-2.094455"
                                 z3="3.576655"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.428546"
                                 y3="-2.380658"
                                 z3="-2.187397"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.804288"
                                 y3="4.0659"
                                 z3="0.047598"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.517717"
                                 y3="-2.364164"
                                 z3="2.05828"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.131154"
                                 y3="0.012139"
                                 z3="0.034886"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.909612"
                                 y3="-4.630233"
                                 z3="2.469014"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.120634"
                                 y3="-0.106555"
                                 z3="3.516635"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.115997"
                                 y3="-1.997679"
                                 z3="-3.513627"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.393761"
                                 y3="3.477205"
                                 z3="1.449787"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.722594"
                                 y3="-4.618427"
                                 z3="-2.510301"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.586359"
                                 y3="-0.635502"
                                 z3="-2.543831"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-1.025192"
                                 y3="4.245411"
                                 z3="2.806152"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.709049"
                                 y3="-0.622737"
                                 z3="2.514621"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.014228"
                                 y3="1.171229"
                                 z3="0.681318"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.847091"
                                 y3="-0.06729"
                                 z3="-1.685388"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)20-38(8,9)29-40(12,13)30-39(10,11)22-2(5)23-41(14,21-1,33-42(15,24-2,31-38)32-40)35-43(16,17,25-1)27-37(6,7)28-44(18,19,26-2,34-39)36-43/h8,16H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;10;11;5;7;3/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1OOO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;s7;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3783,-3.0136,-1.8467;-.3333,.1932,-5.1673;-.4868,3.0158,1.6607;3.0268,-.5797,1.9962;.019,-.0433,-3.4603;2.4136,2.5944,-.0241;-.1107,-.1773,3.5873;3.8911,3.5613,.0786;-.0061,.109,5.3351;.4653,-3.0281,1.855;2.9744,-.6409,-1.8272;-.5963,3.2259,-1.7281;.6091,-.7019,-1.2897;-1.7493,-.0006,-.115;.2987,1.6362,.0306;.4601,-.7228,1.4172;-1.2719,-3.1852,1.5945;.0669,1.8133,-2.8855;-1.8465,-.3455,3.332;2.867,1.2983,-1.338;-2.2496,2.6251,-1.6933;3.3398,-.942,-.0366;-2.0887,2.0386,1.3394;.9553,-3.2269,-.015;.0416,1.634,2.9358;-1.3466,-3.0945,-1.4921;2.8535,1.2323,1.2964;-1.745,-.1697,-2.7177;1.9419,-.0351,-3.4484;-.6915,4.6045,-2.8194;1.4606,3.6119,-1.2687;.289,-2.0945,3.5767;2.4285,-2.3807,-2.1874;-.8043,4.0659,.0476;2.5177,-2.3642,2.0583;-.1312,.0121,.0349;.9096,-4.6302,2.469;2.1206,-.1066,3.5166;.116,-1.9977,-3.5136;1.3938,3.4772,1.4498;.7226,-4.6184,-2.5103;4.5864,-.6355,-2.5438;-1.0252,4.2454,2.8062;4.709,-.6227,2.5146;-2.0142,1.1712,.6813;-1.8471,-.0673,-1.6854;/R:/0/N:12,4,21,30,44,13,14,28,2,17,37,26,41,8,42,23,43,9,19,18,31,35,27,22,34,38,15,16,39,24,29,33,20,32,40,25,36,5,10,1,6,11,3,7/E:(3,4)(6,7)(10,11)(12,13)(18,19)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,17.1,18.1,19.1</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">-14.85884492</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00512079</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">0.00162017</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">0.00512079</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00162017</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01262808</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">0.00368110</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="0.372645"
                                 y3="-3.007855"
                                 z3="-1.844382"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.327232"
                                 y3="0.198303"
                                 z3="-5.168946"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.490475"
                                 y3="3.012411"
                                 z3="1.65757"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.031893"
                                 y3="-0.583217"
                                 z3="1.99552"/>
                           <atom elementType="W"
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                                 x3="0.021715"
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                                 y3="3.565663"
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                                 x3="-0.00249"
                                 y3="0.110627"
                                 z3="5.33727"/>
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                                 x3="0.4649"
                                 y3="-3.026488"
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                                 x3="2.975365"
                                 y3="-0.64136"
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                           <atom elementType="Mo"
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                                 x3="-0.599186"
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                                 id="a30"
                                 x3="-0.691189"
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                                 id="a31"
                                 x3="1.457985"
                                 y3="3.606608"
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                           <bond atomRefs2="a1 a33" order="S"/>
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                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
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                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
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                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h9,19H">
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                        </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">-14.85901249</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00415298</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">0.00140649</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">0.00415298</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00140649</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01642308</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">0.00483800</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>
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                                 z3="-0.018507"/>
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                                 x3="4.586454"
                                 y3="-0.649684"
                                 z3="-2.544189"/>
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                                 id="a43"
                                 x3="-1.033151"
                                 y3="4.235409"
                                 z3="2.801513"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.717671"
                                 y3="-0.621871"
                                 z3="2.520247"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.020619"
                                 y3="1.151513"
                                 z3="0.672207"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.835779"
                                 y3="-0.073155"
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                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h9,19H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;5;3/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1OO1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3661,-2.9997,-1.8417;-.3207,.204,-5.1712;-.496,3.0076,1.6537;3.0386,-.587,1.9962;.0248,-.0365,-3.4644;2.41,2.5915,-.0185;-.0986,-.1751,3.5924;3.8801,3.5692,.0828;.0028,.1104,5.3403;.4642,-3.0256,1.8623;2.9772,-.6417,-1.8247;-.6023,3.2343,-1.7385;.6068,-.7014,-1.2879;-1.7483,-.0054,-.113;.3056,1.6276,.0382;.4559,-.7357,1.4173;-1.2745,-3.1927,1.6146;.0778,1.8216,-2.885;-1.8352,-.3487,3.3369;2.8733,1.294,-1.3356;-2.2548,2.6233,-1.7224;3.3462,-.9448,-.0319;-2.0906,2.0268,1.3355;.9394,-3.2234,-.0124;.0433,1.6363,2.9439;-1.3597,-3.0728,-1.4862;2.8609,1.2307,1.2967;-1.7471,-.1441,-2.7308;1.9451,-.0336,-3.4456;-.693,4.615,-2.8271;1.4567,3.6015,-1.2735;.3001,-2.095,3.5819;2.4206,-2.3806,-2.1768;-.8147,4.0605,.0389;2.5259,-2.3683,2.0588;-.1304,.0056,.0394;.9244,-4.6261,2.4703;2.1239,-.1057,3.5123;.1103,-1.9878,-3.5136;1.3829,3.4752,1.448;.7004,-4.6045,-2.5112;4.5865,-.6497,-2.5442;-1.0332,4.2354,2.8015;4.7177,-.6219,2.5202;-2.0206,1.1515,.6722;-1.8358,-.0732,-1.6978;/R:/0/N:12,4,21,30,44,13,14,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(6,7,8)(11,12)(13,14)(15,16)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,20.1</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">-14.85919838</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00377749</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">0.00105674</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">0.00377749</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00105674</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00908865</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">0.00269323</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="-2.995829"
                                 z3="-1.840598"/>
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                                 z3="-5.171898"/>
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                                 z3="1.651976"/>
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                                 x3="3.040311"
                                 y3="-0.587552"
                                 z3="1.998509"/>
                           <atom elementType="W"
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                                 y3="-0.035962"
                                 z3="-3.465411"/>
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                                 y3="2.590617"
                                 z3="-0.017666"/>
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                                 x3="-0.095789"
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                                 x3="0.464471"
                                 y3="-3.026863"
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                           <atom elementType="W"
                                 id="a11"
                                 x3="2.978311"
                                 y3="-0.641255"
                                 z3="-1.823798"/>
                           <atom elementType="Mo"
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                                 x3="-0.602352"
                                 y3="3.236934"
                                 z3="-1.741938"/>
                           <atom elementType="O"
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                                 y3="-0.702075"
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                                 y3="-0.003883"
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                                 y3="1.622445"
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                                 y3="-0.741067"
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                           <atom elementType="O"
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                                 y3="-3.197954"
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                                 y3="-0.346993"
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                           <atom elementType="O"
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                                 x3="2.872632"
                                 y3="1.29118"
                                 z3="-1.33576"/>
                           <atom elementType="O"
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                                 x3="-2.253743"
                                 y3="2.622088"
                                 z3="-1.730016"/>
                           <atom elementType="O"
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                                 y3="-0.948328"
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                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.093687"
                                 y3="2.026139"
                                 z3="1.329684"/>
                           <atom elementType="O"
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                                 x3="0.934027"
                                 y3="-3.224819"
                                 z3="-0.011196"/>
                           <atom elementType="O"
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                                 x3="0.043756"
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                                 x3="-1.360579"
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                                 z3="-2.730271"/>
                           <atom elementType="O"
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                                 x3="1.94289"
                                 y3="-0.032539"
                                 z3="-3.445269"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.695081"
                                 y3="4.617729"
                                 z3="-2.830715"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.459759"
                                 y3="3.600475"
                                 z3="-1.275251"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.301418"
                                 y3="-2.095062"
                                 z3="3.583575"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.418454"
                                 y3="-2.379561"
                                 z3="-2.17923"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.81484"
                                 y3="4.060571"
                                 z3="0.034728"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.527536"
                                 y3="-2.368476"
                                 z3="2.058809"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.131359"
                                 y3="0.001782"
                                 z3="0.041002"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.930007"
                                 y3="-4.626618"
                                 z3="2.472452"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.122608"
                                 y3="-0.103825"
                                 z3="3.512981"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.108156"
                                 y3="-1.984182"
                                 z3="-3.513403"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.379595"
                                 y3="3.474317"
                                 z3="1.448141"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.699956"
                                 y3="-4.600823"
                                 z3="-2.510888"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.585966"
                                 y3="-0.650135"
                                 z3="-2.546601"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-1.037786"
                                 y3="4.232193"
                                 z3="2.799434"/>
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                                 id="a44"
                                 x3="4.718469"
                                 y3="-0.61702"
                                 z3="2.524824"/>
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                                 id="a45"
                                 x3="-2.021817"
                                 y3="1.14582"
                                 z3="0.668791"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.834164"
                                 y3="-0.070733"
                                 z3="-1.6960"/>
                        </atomArray>
                        <bondArray>
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                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h9,19H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;5;3/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1OO1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3663,-2.9958,-1.8406;-.322,.207,-5.1719;-.5003,3.005,1.652;3.0403,-.5876,1.9985;.0241,-.036,-3.4654;2.4108,2.5906,-.0177;-.0958,-.1746,3.5942;3.8818,3.5662,.0855;.0071,.108,5.3424;.4645,-3.0269,1.866;2.9783,-.6413,-1.8238;-.6024,3.2369,-1.7419;.6047,-.7021,-1.2875;-1.7498,-.0039,-.1111;.3089,1.6224,.0387;.4556,-.7411,1.4164;-1.2745,-3.198,1.6212;.083,1.825,-2.8854;-1.8326,-.347,3.3396;2.8726,1.2912,-1.3358;-2.2537,2.6221,-1.73;3.3474,-.9483,-.0316;-2.0937,2.0261,1.3297;.934,-3.2248,-.0112;.0438,1.6367,2.9449;-1.3606,-3.0669,-1.4888;2.8635,1.2288,1.2965;-1.7493,-.135,-2.7303;1.9429,-.0325,-3.4453;-.6951,4.6177,-2.8307;1.4598,3.6005,-1.2753;.3014,-2.0951,3.5836;2.4185,-2.3796,-2.1792;-.8148,4.0606,.0347;2.5275,-2.3685,2.0588;-.1314,.0018,.041;.93,-4.6266,2.4725;2.1226,-.1038,3.513;.1082,-1.9842,-3.5134;1.3796,3.4743,1.4481;.7,-4.6008,-2.5109;4.586,-.6501,-2.5466;-1.0378,4.2322,2.7994;4.7185,-.617,2.5248;-2.0218,1.1458,.6688;-1.8342,-.0707,-1.696;/R:/0/N:12,4,21,30,44,13,14,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(6,7,8)(11,12)(13,14)(15,16)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,20.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">42</scalar>
                  <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">-14.85934298</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00299603</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">0.00088933</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">0.00299603</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00088933</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00738857</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">0.00236657</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="0.368403"
                                 y3="-2.993223"
                                 z3="-1.839884"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.325515"
                                 y3="0.209661"
                                 z3="-5.172336"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.502533"
                                 y3="3.004008"
                                 z3="1.651235"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.040324"
                                 y3="-0.586768"
                                 z3="2.000464"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.022872"
                                 y3="-0.036103"
                                 z3="-3.466416"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.411523"
                                 y3="2.589694"
                                 z3="-0.01837"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.095453"
                                 y3="-0.174686"
                                 z3="3.595161"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.885019"
                                 y3="3.561234"
                                 z3="0.086071"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.008622"
                                 y3="0.105737"
                                 z3="5.343613"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.46484"
                                 y3="-3.02872"
                                 z3="1.868993"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.979416"
                                 y3="-0.640281"
                                 z3="-1.822889"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.60251"
                                 y3="3.237301"
                                 z3="-1.744093"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.602627"
                                 y3="-0.703976"
                                 z3="-1.287475"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.751511"
                                 y3="-0.003659"
                                 z3="-0.108688"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.310616"
                                 y3="1.617635"
                                 z3="0.040245"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.455621"
                                 y3="-0.745969"
                                 z3="1.416135"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.273968"
                                 y3="-3.204814"
                                 z3="1.626019"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.086237"
                                 y3="1.826936"
                                 z3="-2.885346"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.83219"
                                 y3="-0.345939"
                                 z3="3.340093"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.871399"
                                 y3="1.288723"
                                 z3="-1.336575"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.252282"
                                 y3="2.619152"
                                 z3="-1.731421"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.348177"
                                 y3="-0.951298"
                                 z3="-0.032222"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.096616"
                                 y3="2.02969"
                                 z3="1.323057"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.931615"
                                 y3="-3.226656"
                                 z3="-0.0097"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.042334"
                                 y3="1.636172"
                                 z3="2.943529"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.359635"
                                 y3="-3.062429"
                                 z3="-1.492097"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.865417"
                                 y3="1.227138"
                                 z3="1.295576"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.749962"
                                 y3="-0.127653"
                                 z3="-2.727096"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="1.940588"
                                 y3="-0.03214"
                                 z3="-3.445528"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.698582"
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                                 z3="-2.833189"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.462482"
                                 y3="3.599997"
                                 z3="-1.27551"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.301191"
                                 y3="-2.095541"
                                 z3="3.585286"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.417335"
                                 y3="-2.377816"
                                 z3="-2.183624"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.812193"
                                 y3="4.06121"
                                 z3="0.031605"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.528552"
                                 y3="-2.367366"
                                 z3="2.059054"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.132062"
                                 y3="-0.001514"
                                 z3="0.042788"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.93469"
                                 y3="-4.627541"
                                 z3="2.474748"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.119999"
                                 y3="-0.102137"
                                 z3="3.51308"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.10588"
                                 y3="-1.981587"
                                 z3="-3.513781"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.379122"
                                 y3="3.473861"
                                 z3="1.448026"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.702055"
                                 y3="-4.598676"
                                 z3="-2.510175"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.586092"
                                 y3="-0.647689"
                                 z3="-2.5484"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-1.040114"
                                 y3="4.232266"
                                 z3="2.797379"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.717915"
                                 y3="-0.613253"
                                 z3="2.529284"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.022611"
                                 y3="1.143924"
                                 z3="0.665627"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.831426"
                                 y3="-0.063893"
                                 z3="-1.692248"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h9,19H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;5;3/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1OO1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3684,-2.9932,-1.8399;-.3255,.2097,-5.1723;-.5025,3.004,1.6512;3.0403,-.5868,2.0005;.0229,-.0361,-3.4664;2.4115,2.5897,-.0184;-.0955,-.1747,3.5952;3.885,3.5612,.0861;.0086,.1057,5.3436;.4648,-3.0287,1.869;2.9794,-.6403,-1.8229;-.6025,3.2373,-1.7441;.6026,-.704,-1.2875;-1.7515,-.0037,-.1087;.3106,1.6176,.0402;.4556,-.746,1.4161;-1.274,-3.2048,1.626;.0862,1.8269,-2.8853;-1.8322,-.3459,3.3401;2.8714,1.2887,-1.3366;-2.2523,2.6192,-1.7314;3.3482,-.9513,-.0322;-2.0966,2.0297,1.3231;.9316,-3.2267,-.0097;.0423,1.6362,2.9435;-1.3596,-3.0624,-1.4921;2.8654,1.2271,1.2956;-1.75,-.1277,-2.7271;1.9406,-.0321,-3.4455;-.6986,4.6179,-2.8332;1.4625,3.6,-1.2755;.3012,-2.0955,3.5853;2.4173,-2.3778,-2.1836;-.8122,4.0612,.0316;2.5286,-2.3674,2.0591;-.1321,-.0015,.0428;.9347,-4.6275,2.4747;2.12,-.1021,3.5131;.1059,-1.9816,-3.5138;1.3791,3.4739,1.448;.7021,-4.5987,-2.5102;4.5861,-.6477,-2.5484;-1.0401,4.2323,2.7974;4.7179,-.6133,2.5293;-2.0226,1.1439,.6656;-1.8314,-.0639,-1.6922;/R:/0/N:12,4,21,30,44,13,14,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(6,7,8)(11,12)(13,14)(15,16)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,20.1</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">-14.85944226</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00274476</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">0.00083707</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">0.00274476</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00083707</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00973350</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">0.00255851</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="0.369871"
                                 y3="-2.990674"
                                 z3="-1.838508"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.329587"
                                 y3="0.212866"
                                 z3="-5.172497"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.50459"
                                 y3="3.002309"
                                 z3="1.650125"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.040311"
                                 y3="-0.585544"
                                 z3="2.001782"/>
                           <atom elementType="W"
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                                 z3="-3.467256"/>
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                                 x3="3.88739"
                                 y3="3.556958"
                                 z3="0.085925"/>
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                                 x3="0.009966"
                                 y3="0.105396"
                                 z3="5.345065"/>
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                                 x3="0.465599"
                                 y3="-3.030399"
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                           <atom elementType="W"
                                 id="a11"
                                 x3="2.980055"
                                 y3="-0.639072"
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                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.602693"
                                 y3="3.237699"
                                 z3="-1.747067"/>
                           <atom elementType="O"
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                                 y3="-0.706126"
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                                 y3="-0.002765"
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                                 y3="-0.750177"
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                                 y3="-3.211818"
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                                 y3="-0.34677"
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                                 y3="1.286842"
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                                 z3="-3.446248"/>
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                                 id="a30"
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                                 z3="-2.835866"/>
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                                 id="a31"
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                                 y3="3.600181"
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                                 id="a32"
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                                 y3="-2.365922"
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                                 y3="-1.979224"
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                                 y3="3.472636"
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                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h9,19H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <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">-14.85952419</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00298170</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">0.00073995</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">0.00298170</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00073995</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00964443</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">0.00250120</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>
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                                 z3="-0.020329"/>
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                                 z3="-2.54883"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-1.046185"
                                 y3="4.232786"
                                 z3="2.790436"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.716585"
                                 y3="-0.613263"
                                 z3="2.536344"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.021386"
                                 y3="1.135759"
                                 z3="0.651412"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.825377"
                                 y3="-0.048021"
                                 z3="-1.687653"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h9,19H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;5;3/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1OO1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3707,-2.9885,-1.8363;-.3328,.2156,-5.1728;-.5057,3.0003,1.649;3.04,-.5837,2.0028;.0202,-.0341,-3.4684;2.4101,2.5907,-.0203;-.0963,-.177,3.5994;3.8893,3.5538,.0854;.0101,.1078,5.3466;.4669,-3.0316,1.8727;2.9803,-.6383,-1.8215;-.6028,3.2379,-1.7507;.5976,-.7085,-1.2878;-1.7493,-.003,-.1023;.3131,1.6104,.047;.4554,-.753,1.4206;-1.2709,-3.2171,1.6301;.0917,1.831,-2.886;-1.8328,-.3503,3.3456;2.8673,1.2859,-1.3376;-2.2504,2.6152,-1.7339;3.3497,-.9567,-.0344;-2.0966,2.0329,1.307;.9354,-3.2285,-.006;.0331,1.632,2.9378;-1.3584,-3.0543,-1.4905;2.8683,1.2241,1.2935;-1.7496,-.1083,-2.7227;1.9379,-.0344,-3.4474;-.7023,4.6188,-2.8389;1.4646,3.6018,-1.2727;.3008,-2.0991,3.5901;2.4125,-2.3742,-2.1912;-.8053,4.0577,.0268;2.5314,-2.3646,2.0622;-.1282,-.0059,.0482;.9441,-4.6279,2.4789;2.115,-.1001,3.5124;.0947,-1.9774,-3.5151;1.3813,3.4705,1.4467;.7017,-4.5941,-2.5079;4.5863,-.6424,-2.5488;-1.0462,4.2328,2.7904;4.7166,-.6133,2.5363;-2.0214,1.1358,.6514;-1.8254,-.048,-1.6877;/R:/0/N:12,4,21,30,44,13,14,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(6,7,8)(11,12)(13,14)(15,16)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,20.1</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">-14.85961227</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00247576</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">0.00059068</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">0.00247576</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00059068</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00856584</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">0.00250661</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="-2.986564"
                                 z3="-1.833522"/>
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                                 z3="-5.173136"/>
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                                 z3="1.647024"/>
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                                 x3="3.040728"
                                 y3="-0.582548"
                                 z3="2.003418"/>
                           <atom elementType="W"
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                                 x3="0.019494"
                                 y3="-0.03202"
                                 z3="-3.469201"/>
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                                 x3="2.408849"
                                 y3="2.592319"
                                 z3="-0.0199"/>
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                                 x3="-0.096002"
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                                 x3="0.468528"
                                 y3="-3.032128"
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                           <atom elementType="W"
                                 id="a11"
                                 x3="2.979954"
                                 y3="-0.638013"
                                 z3="-1.821404"/>
                           <atom elementType="Mo"
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                                 x3="-0.602246"
                                 y3="3.24008"
                                 z3="-1.75527"/>
                           <atom elementType="O"
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                                 x3="0.595601"
                                 y3="-0.709849"
                                 z3="-1.287033"/>
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                                 y3="-0.002017"
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                                 y3="1.608609"
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                                 y3="-0.754837"
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                           <atom elementType="O"
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                                 y3="-3.219406"
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                                 y3="-0.355732"
                                 z3="3.350942"/>
                           <atom elementType="O"
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                                 x3="2.864192"
                                 y3="1.285428"
                                 z3="-1.337175"/>
                           <atom elementType="O"
                                 id="a21"
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                                 y3="2.617699"
                                 z3="-1.739713"/>
                           <atom elementType="O"
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                           <atom elementType="O"
                                 id="a23"
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                                 y3="2.030984"
                                 z3="1.301017"/>
                           <atom elementType="O"
                                 id="a24"
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                                 y3="-3.228437"
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                                 x3="2.868997"
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                                 x3="-1.750391"
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                           <atom elementType="O"
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                                 x3="1.937127"
                                 y3="-0.035474"
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                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.699731"
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                                 z3="-2.842975"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.464375"
                                 y3="3.603701"
                                 z3="-1.271711"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.301851"
                                 y3="-2.100895"
                                 z3="3.592191"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.409768"
                                 y3="-2.373459"
                                 z3="-2.193128"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.803815"
                                 y3="4.054615"
                                 z3="0.024408"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.533534"
                                 y3="-2.364207"
                                 z3="2.064121"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.126153"
                                 y3="-0.007059"
                                 z3="0.050322"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.94723"
                                 y3="-4.627527"
                                 z3="2.48035"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.114407"
                                 y3="-0.099716"
                                 z3="3.512981"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.087946"
                                 y3="-1.975354"
                                 z3="-3.513933"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.38181"
                                 y3="3.467814"
                                 z3="1.446826"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.698774"
                                 y3="-4.59167"
                                 z3="-2.507407"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.585699"
                                 y3="-0.641878"
                                 z3="-2.548852"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-1.049641"
                                 y3="4.230921"
                                 z3="2.786564"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.717092"
                                 y3="-0.614113"
                                 z3="2.537211"/>
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                                 id="a45"
                                 x3="-2.020401"
                                 y3="1.127956"
                                 z3="0.644235"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.823561"
                                 y3="-0.041899"
                                 z3="-1.688036"/>
                        </atomArray>
                        <bondArray>
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                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h9,19H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;5;3/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1OO1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.37,-2.9866,-1.8335;-.3343,.2173,-5.1731;-.5075,2.9968,1.647;3.0407,-.5825,2.0034;.0195,-.032,-3.4692;2.4088,2.5923,-.0199;-.096,-.1789,3.6022;3.8898,3.5527,.0861;.011,.1107,5.3484;.4685,-3.0321,1.8731;2.98,-.638,-1.8214;-.6022,3.2401,-1.7553;.5956,-.7098,-1.287;-1.7482,-.002,-.0991;.3147,1.6086,.0497;.455,-.7548,1.4232;-1.2688,-3.2194,1.6295;.0951,1.8338,-2.887;-1.8328,-.3557,3.3509;2.8642,1.2854,-1.3372;-2.2503,2.6177,-1.7397;3.35,-.9586,-.035;-2.0955,2.031,1.301;.9393,-3.2284,-.0048;.0287,1.6292,2.936;-1.3584,-3.052,-1.4841;2.869,1.2231,1.2935;-1.7504,-.0997,-2.7227;1.9371,-.0355,-3.4481;-.6997,4.6213,-2.843;1.4644,3.6037,-1.2717;.3019,-2.1009,3.5922;2.4098,-2.3735,-2.1931;-.8038,4.0546,.0244;2.5335,-2.3642,2.0641;-.1262,-.0071,.0503;.9472,-4.6275,2.4804;2.1144,-.0997,3.513;.0879,-1.9754,-3.5139;1.3818,3.4678,1.4468;.6988,-4.5917,-2.5074;4.5857,-.6419,-2.5489;-1.0496,4.2309,2.7866;4.7171,-.6141,2.5372;-2.0204,1.128,.6442;-1.8236,-.0419,-1.688;/R:/0/N:12,4,21,30,44,13,14,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(6,7,8)(11,12)(13,14)(15,16)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,20.1</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">-14.85975607</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00177959</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">0.00060390</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">0.00177959</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00060390</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01104056</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">0.00327768</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="0.368078"
                                 y3="-2.984425"
                                 z3="-1.830546"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.334703"
                                 y3="0.21845"
                                 z3="-5.17409"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.510206"
                                 y3="2.991499"
                                 z3="1.644053"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.042127"
                                 y3="-0.581139"
                                 z3="2.00441"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.019678"
                                 y3="-0.029472"
                                 z3="-3.470614"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.406566"
                                 y3="2.59423"
                                 z3="-0.018748"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.094855"
                                 y3="-0.181695"
                                 z3="3.606145"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.889387"
                                 y3="3.551583"
                                 z3="0.087933"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.013261"
                                 y3="0.113814"
                                 z3="5.351197"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.47083"
                                 y3="-3.032615"
                                 z3="1.87402"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.979421"
                                 y3="-0.638266"
                                 z3="-1.820864"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.601884"
                                 y3="3.243374"
                                 z3="-1.761046"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.593521"
                                 y3="-0.711215"
                                 z3="-1.285217"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.747726"
                                 y3="-0.000156"
                                 z3="-0.095214"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.316377"
                                 y3="1.606548"
                                 z3="0.052312"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.45479"
                                 y3="-0.756597"
                                 z3="1.426109"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.266478"
                                 y3="-3.220909"
                                 z3="1.630229"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.09968"
                                 y3="1.837776"
                                 z3="-2.888289"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.832023"
                                 y3="-0.364288"
                                 z3="3.358915"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.859686"
                                 y3="1.284852"
                                 z3="-1.336135"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.251152"
                                 y3="2.622317"
                                 z3="-1.749139"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.349563"
                                 y3="-0.960605"
                                 z3="-0.03526"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.095392"
                                 y3="2.028521"
                                 z3="1.293584"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.942719"
                                 y3="-3.228162"
                                 z3="-0.003647"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.023708"
                                 y3="1.62539"
                                 z3="2.934917"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.359032"
                                 y3="-3.049276"
                                 z3="-1.475523"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.869793"
                                 y3="1.221771"
                                 z3="1.29392"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.751749"
                                 y3="-0.088719"
                                 z3="-2.724709"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="1.936291"
                                 y3="-0.035817"
                                 z3="-3.448208"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.695672"
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                                 z3="-2.848307"/>
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                                 id="a31"
                                 x3="1.463882"
                                 y3="3.605753"
                                 z3="-1.271492"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.305146"
                                 y3="-2.102508"
                                 z3="3.594988"/>
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                                 id="a33"
                                 x3="2.406592"
                                 y3="-2.372971"
                                 z3="-2.193511"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.802645"
                                 y3="4.051364"
                                 z3="0.020902"/>
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                                 id="a35"
                                 x3="2.536243"
                                 y3="-2.363851"
                                 z3="2.065936"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.124462"
                                 y3="-0.008515"
                                 z3="0.052785"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.950135"
                                 y3="-4.627319"
                                 z3="2.482358"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.115433"
                                 y3="-0.099175"
                                 z3="3.514873"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.081618"
                                 y3="-1.972466"
                                 z3="-3.51217"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.381624"
                                 y3="3.464156"
                                 z3="1.447524"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.694226"
                                 y3="-4.588653"
                                 z3="-2.507746"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.584799"
                                 y3="-0.642616"
                                 z3="-2.548478"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-1.05281"
                                 y3="4.227361"
                                 z3="2.782331"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.718903"
                                 y3="-0.614016"
                                 z3="2.536272"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.017589"
                                 y3="1.116915"
                                 z3="0.634543"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.823898"
                                 y3="-0.034481"
                                 z3="-1.691303"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" 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="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.O4Si.2H2O.28O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1;+2/p-2/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h9,19H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,14,15,16,36;23;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;5;3/E:;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1O1OO1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s23;s28;/rC:.3681,-2.9844,-1.8305;-.3347,.2185,-5.1741;-.5102,2.9915,1.6441;3.0421,-.5811,2.0044;.0197,-.0295,-3.4706;2.4066,2.5942,-.0187;-.0949,-.1817,3.6061;3.8894,3.5516,.0879;.0133,.1138,5.3512;.4708,-3.0326,1.874;2.9794,-.6383,-1.8209;-.6019,3.2434,-1.761;.5935,-.7112,-1.2852;-1.7477,-.0002,-.0952;.3164,1.6065,.0523;.4548,-.7566,1.4261;-1.2665,-3.2209,1.6302;.0997,1.8378,-2.8883;-1.832,-.3643,3.3589;2.8597,1.2849,-1.3361;-2.2512,2.6223,-1.7491;3.3496,-.9606,-.0353;-2.0954,2.0285,1.2936;.9427,-3.2282,-.0036;.0237,1.6254,2.9349;-1.359,-3.0493,-1.4755;2.8698,1.2218,1.2939;-1.7517,-.0887,-2.7247;1.9363,-.0358,-3.4482;-.6957,4.6252,-2.8483;1.4639,3.6058,-1.2715;.3051,-2.1025,3.595;2.4066,-2.373,-2.1935;-.8026,4.0514,.0209;2.5362,-2.3639,2.0659;-.1245,-.0085,.0528;.9501,-4.6273,2.4824;2.1154,-.0992,3.5149;.0816,-1.9725,-3.5122;1.3816,3.4642,1.4475;.6942,-4.5887,-2.5077;4.5848,-.6426,-2.5485;-1.0528,4.2274,2.7823;4.7189,-.614,2.5363;-2.0176,1.1169,.6345;-1.8239,-.0345,-1.6913;/R:/0/N:12,4,21,30,44,13,14,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(6,7,8)(11,12)(13,14)(15,16)/CRV:3.1,4.1,5.1,6.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,20.1</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">-14.85980633</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00256324</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">0.00072692</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">0.00256324</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00072692</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01997686</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">0.00509986</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="0.364792"
                                 y3="-2.981225"
                                 z3="-1.826786"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.33449"
                                 y3="0.220519"
                                 z3="-5.176312"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.515669"
                                 y3="2.982928"
                                 z3="1.638786"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.044295"
                                 y3="-0.579252"
                                 z3="2.006281"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.020605"
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                                 z3="-3.473431"/>
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                                 y3="0.116888"
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                                 x3="0.474943"
                                 y3="-3.032826"
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                                 x3="2.97821"
                                 y3="-0.638885"
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                           <atom elementType="Mo"
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                                 x3="-0.601314"
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                           <atom elementType="O"
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                                 z3="-1.272704"/>
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                                 id="a32"
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                                 y3="-2.103755"
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                           <bond atomRefs2="a1 a41" order="S"/>
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                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
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                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
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                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO5Si.H2O.28O.7W/c;;1-6(2,3)5-7-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)19-38(8,9)28-41(14,15)29-39(10,11)20-2(5)21-40(12,13,27-39)32-44(18,24-1)34-43(17,23-1,25-2,33-42(16,22-2,30-38)31-41)36(44)37(6,7)26-45-35-44/h8H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,15,16,23,14,36,45;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(1,2,3);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4-1,7.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OO3O1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H/rB:;;;s2;;;s6;s7;;;;;;s3s6;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14s23;s28;/rC:.3648,-2.9812,-1.8268;-.3345,.2205,-5.1763;-.5157,2.9829,1.6388;3.0443,-.5793,2.0063;.0206,-.0256,-3.4734;2.4028,2.5967,-.0162;-.0921,-.1857,3.6127;3.8884,3.5497,.0914;.018,.1169,5.3563;.4749,-3.0328,1.8756;2.9782,-.6389,-1.8196;-.6013,3.249,-1.7702;.5907,-.713,-1.2821;-1.7478,.0034,-.0885;.3186,1.6034,.055;.4549,-.7585,1.4298;-1.2626,-3.2196,1.6323;.1069,1.8437,-2.8905;-1.8299,-.3772,3.3724;2.8517,1.2834,-1.3338;-2.252,2.629,-1.7654;3.3476,-.9635,-.0351;-2.0965,2.0241,1.2843;.9466,-3.2286,-.0026;.0174,1.6202,2.9348;-1.3605,-3.0445,-1.4631;2.8707,1.2194,1.295;-1.7533,-.0739,-2.7278;1.935,-.0359,-3.448;-.6892,4.6322,-2.856;1.4639,3.608,-1.2727;.3117,-2.1038,3.5993;2.402,-2.3727,-2.192;-.8023,4.0469,.0146;2.54,-2.3638,2.0684;-.1224,-.0107,.0562;.953,-4.6274,2.4852;2.1183,-.0987,3.5188;.0745,-1.9674,-3.51;1.3803,3.459,1.4482;.6862,-4.5837,-2.5105;4.5835,-.6445,-2.547;-1.0566,4.2218,2.7757;4.7224,-.6124,2.5334;-2.0148,1.0969,.6204;-1.8244,-.0232,-1.6971;/R:/0/N:12,4,21,30,44,13,16,28,2,17,37,9,19,26,41,42,8,43,18,35,38,22,31,34,27,14,32,39,24,29,33,25,20,40,23,15,36,5,10,7,1,11,6,3,45/E:(3,4)(6,7)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,36.3,45.2</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">-14.85985857</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00466765</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">0.00111670</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">0.00466765</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00111670</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05404632</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">0.01290680</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>
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                                 z3="-5.181709"/>
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                                 y3="-0.574788"
                                 z3="2.010893"/>
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                                 y3="-0.015693"
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                                 x3="2.393558"
                                 y3="2.602624"
                                 z3="-0.009485"/>
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                                 x3="-0.085108"
                                 y3="-0.194888"
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                                 x3="0.665597"
                                 y3="-4.571232"
                                 z3="-2.517169"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.580181"
                                 y3="-0.647795"
                                 z3="-2.542897"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-1.067559"
                                 y3="4.209213"
                                 z3="2.757419"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.730531"
                                 y3="-0.608008"
                                 z3="2.528084"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.005519"
                                 y3="1.042892"
                                 z3="0.581509"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.823912"
                                 y3="0.005614"
                                 z3="-1.71006"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO5Si.H2O.28O.7W/c;;1-6(2,3)5-7-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)19-38(8,9)28-41(14,15)29-39(10,11)20-2(5)21-40(12,13,27-39)32-44(18,24-1)34-43(17,23-1,25-2,33-42(16,22-2,30-38)31-41)36(44)37(6,7)26-45-35-44/h8H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,15,16,23,14,36,45;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(1,2,3);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4-1,7.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OO3O1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H/rB:;;;s2;;;s6;s7;;;;;;s3s6;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14s23;s28;/rC:.3575,-2.9729,-1.8175;-.3347,.2271,-5.1817;-.5307,2.9616,1.6254;3.0496,-.5748,2.0109;.0223,-.0157,-3.4803;2.3936,2.6026,-.0095;-.0851,-.1949,3.6284;3.8866,3.544,.0989;.0312,.1233,5.3689;.4853,-3.0335,1.8802;2.9749,-.6396,-1.8161;-.5997,3.2633,-1.7929;.5831,-.7176,-1.2744;-1.7479,.0138,-.0704;.3245,1.595,.0627;.4554,-.7641,1.4385;-1.2531,-3.2155,1.6389;.1241,1.8573,-2.8956;-1.8236,-.4079,3.4059;2.8323,1.2785,-1.3272;-2.2531,2.6446,-1.805;3.343,-.971,-.0346;-2.0987,2.013,1.2587;.9557,-3.2313,.0003;.0012,1.6074,2.9342;-1.3636,-3.0312,-1.4337;2.8731,1.2134,1.2981;-1.757,-.0362,-2.7345;1.9312,-.0368,-3.4476;-.6749,4.6503,-2.8745;1.4643,3.6124,-1.2753;.3274,-2.1066,3.6102;2.3907,-2.3716,-2.1906;-.8021,4.0362,-.0016;2.5487,-2.3635,2.0748;-.1161,-.0165,.0651;.9599,-4.6282,2.4919;2.1248,-.0976,3.5276;.0554,-1.954,-3.5033;1.3772,3.4474,1.4497;.6656,-4.5712,-2.5172;4.5802,-.6478,-2.5429;-1.0676,4.2092,2.7574;4.7305,-.608,2.5281;-2.0055,1.0429,.5815;-1.8239,.0056,-1.7101;/R:/0/N:12,4,21,30,44,13,16,28,2,17,37,9,19,26,41,42,8,43,18,35,38,22,31,34,27,14,32,39,24,29,33,25,20,40,23,15,36,5,10,7,1,11,6,3,45/E:(3,4)(6,7)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,36.3,45.2</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">49</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">49</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-14.86005777</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01421843</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">0.00276706</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">0.01421843</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00276706</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06784905</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">0.01587857</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">
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                                 y3="-2.962278"
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                           <atom elementType="W"
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                                 x3="2.970923"
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                                 z3="-1.810929"/>
                           <atom elementType="Mo"
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                                 x3="-0.598295"
                                 y3="3.280547"
                                 z3="-1.820551"/>
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                                 y3="1.873563"
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                                 y3="-0.446639"
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                           <atom elementType="O"
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                                 y3="1.271598"
                                 z3="-1.318858"/>
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                                 y3="2.661866"
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                                 y3="-0.980445"
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                           <atom elementType="O"
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                                 x3="-2.102697"
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                           <atom elementType="O"
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                                 x3="0.966594"
                                 y3="-3.235437"
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                           <atom elementType="O"
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                                 x3="-0.658161"
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                                 z3="-2.896682"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.46459"
                                 y3="3.617439"
                                 z3="-1.278991"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.347272"
                                 y3="-2.109446"
                                 z3="3.623485"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.377102"
                                 y3="-2.370383"
                                 z3="-2.189377"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.802175"
                                 y3="4.023125"
                                 z3="-0.022066"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.559357"
                                 y3="-2.36297"
                                 z3="2.082752"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.108466"
                                 y3="-0.024273"
                                 z3="0.076069"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.9680"
                                 y3="-4.629538"
                                 z3="2.499766"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.133202"
                                 y3="-0.095959"
                                 z3="3.539208"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.032342"
                                 y3="-1.936252"
                                 z3="-3.495047"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.373999"
                                 y3="3.433289"
                                 z3="1.451365"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.639219"
                                 y3="-4.555075"
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                           <atom elementType="O"
                                 id="a42"
                                 x3="4.576342"
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                           <atom elementType="O"
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                                 x3="-1.077458"
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                                 id="a44"
                                 x3="4.740436"
                                 y3="-0.601426"
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                           <atom elementType="H"
                                 id="a45"
                                 x3="-1.996471"
                                 y3="0.975043"
                                 z3="0.535817"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.824146"
                                 y3="0.042863"
                                 z3="-1.728934"/>
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                        <bondArray>
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                           <bond atomRefs2="a1 a33" order="S"/>
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                           <bond atomRefs2="a1 a26" order="S"/>
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                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO5Si.H2O.28O.7W/c;;1-6(2,3)5-7-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/p-1/rH2Mo2O34SiW7/c3-1(4)18-38(7,8)27-40(11,12)29-41(13,28-38)20-2(5)19-39(9,10)30-42(14,15,23-2,31-40)25-37(6)26-45-35-44(17,22-1,32-39)34-43(16,21-1,24-2,33-41)36(37)44/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,15,16,23,14,36,45;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;11;3;5;10/E:;;(1,2,3);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4-1,7.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OO3OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H/rB:;;;s2;;;s6;s7;;;;;;s3s6;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14s23;s28;/rC:.3485,-2.9623,-1.8064;-.3332,.236,-5.1892;-.5491,2.9359,1.6089;3.0557,-.5687,2.0173;.0256,-.0032,-3.4895;2.3816,2.6096,-.0016;-.0767,-.2063,3.6475;3.8843,3.5358,.107;.047,.1308,5.3839;.4989,-3.0342,1.8859;2.9709,-.6408,-1.8109;-.5983,3.2805,-1.8206;.5737,-.7237,-1.2645;-1.7486,.0226,-.0469;.3308,1.5841,.0724;.4567,-.7712,1.449;-1.2408,-3.2092,1.6473;.1452,1.8736,-2.9011;-1.8155,-.4466,3.4477;2.8078,1.2716,-1.3189;-2.2541,2.6619,-1.8537;3.337,-.9804,-.0334;-2.1027,2.0029,1.2302;.9666,-3.2354,.0035;-.0189,1.591,2.9329;-1.3671,-3.0142,-1.3976;2.8755,1.2059,1.3019;-1.7609,.0095,-2.7445;1.9268,-.0374,-3.4469;-.6582,4.6721,-2.8967;1.4646,3.6174,-1.279;.3473,-2.1094,3.6235;2.3771,-2.3704,-2.1894;-.8022,4.0231,-.0221;2.5594,-2.363,2.0828;-.1085,-.0243,.0761;.968,-4.6295,2.4998;2.1332,-.096,3.5392;.0323,-1.9363,-3.495;1.374,3.4333,1.4514;.6392,-4.5551,-2.5261;4.5763,-.6518,-2.5369;-1.0775,4.1959,2.7346;4.7404,-.6014,2.5215;-1.9965,.975,.5358;-1.8241,.0429,-1.7289;/R:/0/N:12,4,21,30,44,13,28,2,9,19,26,41,42,17,37,8,43,18,38,22,31,34,35,27,16,14,39,29,33,32,24,25,20,40,23,15,36,5,7,1,11,10,6,3,45/E:(3,4)(9,10)(11,12)(14,15)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,36.3,45.2</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">-14.85985012</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02999596</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">0.00514429</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">0.02999596</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00514429</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.10028707</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">0.02375630</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="0.361834"
                                 y3="-2.978766"
                                 z3="-1.823755"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.333366"
                                 y3="0.222142"
                                 z3="-5.180012"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.521801"
                                 y3="2.974111"
                                 z3="1.633303"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.04581"
                                 y3="-0.576746"
                                 z3="2.008629"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.022201"
                                 y3="-0.022136"
                                 z3="-3.477467"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.398794"
                                 y3="2.59941"
                                 z3="-0.013244"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.089215"
                                 y3="-0.189695"
                                 z3="3.619197"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.88794"
                                 y3="3.546827"
                                 z3="0.095607"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.02333"
                                 y3="0.118561"
                                 z3="5.361857"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.479836"
                                 y3="-3.032424"
                                 z3="1.876883"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.976431"
                                 y3="-0.639713"
                                 z3="-1.818025"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.600316"
                                 y3="3.254592"
                                 z3="-1.779011"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.588015"
                                 y3="-0.714654"
                                 z3="-1.278637"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.749098"
                                 y3="0.006237"
                                 z3="-0.080378"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.320138"
                                 y3="1.600893"
                                 z3="0.056275"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.456057"
                                 y3="-0.758728"
                                 z3="1.432657"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.258506"
                                 y3="-3.213241"
                                 z3="1.63432"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.113784"
                                 y3="1.848946"
                                 z3="-2.893174"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.827235"
                                 y3="-0.389929"
                                 z3="3.387177"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.842302"
                                 y3="1.281454"
                                 z3="-1.330667"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.251995"
                                 y3="2.635268"
                                 z3="-1.78174"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.344248"
                                 y3="-0.966201"
                                 z3="-0.034949"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.099154"
                                 y3="2.020086"
                                 z3="1.276488"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.950474"
                                 y3="-3.230159"
                                 z3="-0.002231"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.01172"
                                 y3="1.61507"
                                 z3="2.93548"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.361534"
                                 y3="-3.041003"
                                 z3="-1.451025"/>
                           <atom elementType="O"
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                                 x3="2.870863"
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                                 y3="3.610507"
                                 z3="-1.274558"/>
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                                 id="a32"
                                 x3="0.318903"
                                 y3="-2.103677"
                                 z3="3.603496"/>
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                                 id="a33"
                                 x3="2.398128"
                                 y3="-2.372897"
                                 z3="-2.190451"/>
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                                 id="a34"
                                 x3="-0.802923"
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                                 z3="0.008508"/>
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                                 id="a35"
                                 x3="2.542863"
                                 y3="-2.363604"
                                 z3="2.0707"/>
                           <atom elementType="Si"
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                                 x3="-0.121029"
                                 y3="-0.012665"
                                 z3="0.058739"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.953552"
                                 y3="-4.627829"
                                 z3="2.487528"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.122725"
                                 y3="-0.098378"
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                                 id="a39"
                                 x3="0.069273"
                                 y3="-1.962279"
                                 z3="-3.506906"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.379064"
                                 y3="3.454073"
                                 z3="1.449243"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.677896"
                                 y3="-4.579076"
                                 z3="-2.515024"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.582207"
                                 y3="-0.64615"
                                 z3="-2.544687"/>
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                                 id="a43"
                                 x3="-1.058487"
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                                 id="a44"
                                 x3="4.726131"
                                 y3="-0.609248"
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                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.01274"
                                 y3="1.07533"
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                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.826569"
                                 y3="-0.01156"
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                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO5Si.H2O.28O.7W/c;;1-6(2,3)5-7-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)19-38(8,9)28-41(14,15)29-39(10,11)20-2(5)21-40(12,13,27-39)32-44(18,24-1)34-43(17,23-1,25-2,33-42(16,22-2,30-38)31-41)36(44)37(6,7)26-45-35-44/h8H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,15,16,23,14,36,45;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(1,2,3);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4-1,7.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OO3O1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H/rB:;;;s2;;;s6;s7;;;;;;s3s6;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14s23;s28;/rC:.3618,-2.9788,-1.8238;-.3334,.2221,-5.18;-.5218,2.9741,1.6333;3.0458,-.5767,2.0086;.0222,-.0221,-3.4775;2.3988,2.5994,-.0132;-.0892,-.1897,3.6192;3.8879,3.5468,.0956;.0233,.1186,5.3619;.4798,-3.0324,1.8769;2.9764,-.6397,-1.818;-.6003,3.2546,-1.779;.588,-.7147,-1.2786;-1.7491,.0062,-.0804;.3201,1.6009,.0563;.4561,-.7587,1.4327;-1.2585,-3.2132,1.6343;.1138,1.8489,-2.8932;-1.8272,-.3899,3.3872;2.8423,1.2815,-1.3307;-2.252,2.6353,-1.7817;3.3442,-.9662,-.0349;-2.0992,2.0201,1.2765;.9505,-3.2302,-.0022;.0117,1.6151,2.9355;-1.3615,-3.041,-1.451;2.8709,1.2165,1.2966;-1.7547,-.0624,-2.7321;1.9334,-.0358,-3.4479;-.6825,4.6401,-2.8624;1.465,3.6105,-1.2746;.3189,-2.1037,3.6035;2.3981,-2.3729,-2.1905;-.8029,4.0431,.0085;2.5429,-2.3636,2.0707;-.121,-.0127,.0587;.9536,-4.6278,2.4875;2.1227,-.0984,3.5244;.0693,-1.9623,-3.5069;1.3791,3.4541,1.4492;.6779,-4.5791,-2.515;4.5822,-.6462,-2.5447;-1.0585,4.2166,2.7691;4.7261,-.6092,2.5287;-2.0127,1.0753,.6081;-1.8266,-.0116,-1.7047;/R:/0/N:12,4,21,30,44,13,16,28,2,17,37,9,19,26,41,42,8,43,18,35,38,22,31,34,27,14,32,39,24,29,33,25,20,40,23,15,36,5,10,7,1,11,6,3,45/E:(3,4)(6,7)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,36.3,45.2</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">-14.85995824</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00722986</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">0.00165303</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">0.00722986</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00165303</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02493686</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">0.00619781</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="0.358338"
                                 y3="-2.974613"
                                 z3="-1.819886"/>
                           <atom elementType="O"
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                                 x3="-0.330983"
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                                 z3="-5.18401"/>
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                                 id="a3"
                                 x3="-0.529165"
                                 y3="2.965097"
                                 z3="1.627397"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.048187"
                                 y3="-0.573961"
                                 z3="2.01183"/>
                           <atom elementType="W"
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                                 x3="0.024647"
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                                 y3="-3.032905"
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                           <atom elementType="Mo"
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                           <bond atomRefs2="a3 a15" order="S"/>
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                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
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                           <bond atomRefs2="a6 a8" order="S"/>
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                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
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                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO5Si.H2O.28O.7W/c;;1-6(2,3)5-7-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)19-38(8,9)28-41(14,15)29-39(10,11)20-2(5)21-40(12,13,27-39)32-44(18,24-1)34-43(17,23-1,25-2,33-42(16,22-2,30-38)31-41)36(44)37(6,7)26-45-35-44/h8H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,15,16,23,14,36,45;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(1,2,3);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4-1,7.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OO3O1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H/rB:;;;s2;;;s6;s7;;;;;;s3s6;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14s23;s28;/rC:.3583,-2.9746,-1.8199;-.331,.2257,-5.184;-.5292,2.9651,1.6274;3.0482,-.574,2.0118;.0246,-.0173,-3.482;2.3936,2.6022,-.0104;-.0861,-.1947,3.6266;3.8874,3.5424,.0981;.0299,.1211,5.3677;.4861,-3.0329,1.8792;2.9751,-.6404,-1.8151;-.6005,3.2611,-1.7895;.5845,-.7176,-1.2743;-1.7501,.0066,-.0707;.3217,1.5966,.0603;.4574,-.7616,1.4367;-1.2528,-3.2101,1.6384;.1213,1.855,-2.8955;-1.8243,-.4068,3.404;2.8318,1.2782,-1.3272;-2.2528,2.6411,-1.8004;3.3421,-.9701,-.0342;-2.1028,2.0205,1.2679;.9543,-3.2326,-.0012;.0036,1.6088,2.9355;-1.363,-3.034,-1.4376;2.8718,1.2131,1.2979;-1.7565,-.0457,-2.738;1.9319,-.0356,-3.4475;-.6768,4.6483,-2.8708;1.4652,3.6122,-1.2766;.3277,-2.1047,3.6088;2.3934,-2.3726,-2.1902;-.8029,4.0389,.0003;2.547,-2.3633,2.0738;-.1182,-.0162,.0632;.9567,-4.6289,2.4906;2.1268,-.0978,3.5299;.0611,-1.9552,-3.504;1.3786,3.4491,1.45;.6673,-4.5729,-2.5194;4.5809,-.6478,-2.5415;-1.0595,4.2137,2.7608;4.7303,-.6062,2.5261;-2.0123,1.0504,.5898;-1.828,.0042,-1.715;/R:/0/N:12,4,21,30,44,13,16,28,2,17,37,9,19,26,41,42,8,43,18,35,38,22,31,34,27,14,32,39,24,29,33,25,20,40,23,15,36,5,10,7,1,11,6,3,45/E:(3,4)(6,7)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,36.3,45.2</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">-14.86016773</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01089537</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">0.00222661</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">0.01089537</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00222661</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02803428</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">0.00590381</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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                                 z3="-0.00697"/>
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                                 x3="1.377226"
                                 y3="3.445324"
                                 z3="1.450166"/>
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                                 x3="0.658013"
                                 y3="-4.567725"
                                 z3="-2.522441"/>
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                                 y3="-0.648519"
                                 z3="-2.538913"/>
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                                 x3="-1.064115"
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                                 z3="2.752524"/>
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                                 x3="4.733533"
                                 y3="-0.604811"
                                 z3="2.524965"/>
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                                 x3="-2.007367"
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                                 z3="0.568778"/>
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                                 id="a46"
                                 x3="-1.826872"
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                           <bond atomRefs2="a1 a33" order="S"/>
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                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
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                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO5Si.H2O.28O.7W/c;;1-6(2,3)5-7-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)19-38(8,9)28-41(14,15)29-39(10,11)20-2(5)21-40(12,13,27-39)32-44(18,24-1)34-43(17,23-1,25-2,33-42(16,22-2,30-38)31-41)36(44)37(6,7)26-45-35-44/h8H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,15,16,23,14,36,45;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(1,2,3);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4-1,7.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OO3O1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H/rB:;;;s2;;;s6;s7;;;;;;s3s6;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14s23;s28;/rC:.3555,-2.971,-1.8165;-.3305,.2292,-5.1867;-.5374,2.9561,1.6219;3.0505,-.5723,2.0139;.0253,-.0127,-3.4851;2.3891,2.6045,-.007;-.0826,-.1979,3.6335;3.8865,3.5392,.1001;.0378,.1232,5.3733;.4913,-3.0335,1.882;2.9733,-.6401,-1.8131;-.5999,3.268,-1.799;.581,-.7194,-1.271;-1.7499,.0121,-.0629;.3237,1.5926,.0644;.4578,-.764,1.4406;-1.2483,-3.2074,1.6429;.1271,1.8601,-2.8976;-1.8211,-.42,3.4199;2.8233,1.2751,-1.3239;-2.2529,2.647,-1.817;3.3401,-.9737,-.0333;-2.1036,2.0165,1.2573;.9572,-3.235,.0001;-.004,1.6037,2.9356;-1.3645,-3.027,-1.427;2.8729,1.2105,1.2997;-1.7581,-.0292,-2.7417;1.9304,-.0362,-3.4475;-.6715,4.6567,-2.8784;1.4656,3.613,-1.2781;.335,-2.1057,3.6138;2.3885,-2.372,-2.1902;-.8032,4.0349,-.0071;2.5498,-2.3633,2.0768;-.1145,-.0187,.0677;.9593,-4.6302,2.4935;2.1298,-.0976,3.5336;.0529,-1.9491,-3.5012;1.3772,3.4453,1.4502;.658,-4.5677,-2.5224;4.5794,-.6485,-2.5389;-1.0641,4.2098,2.7525;4.7335,-.6048,2.525;-2.0074,1.0224,.5688;-1.8269,.0178,-1.7212;/R:/0/N:12,4,21,30,44,13,16,28,2,17,37,9,19,26,41,42,8,43,18,35,38,22,31,34,27,14,32,39,24,29,33,25,20,40,23,15,36,5,10,7,1,11,6,3,45/E:(3,4)(6,7)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,36.3,45.2</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">-14.86041365</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01455330</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">0.00298309</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">0.01455330</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00298309</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03306612</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
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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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                     <molecule id="geometry.cycle">
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                                 x3="0.344568"
                                 y3="-2.10688"
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                                 x3="2.382498"
                                 y3="-2.371384"
                                 z3="-2.189545"/>
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                                 id="a34"
                                 x3="-0.80386"
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                                 z3="-0.016097"/>
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                                 x3="2.554162"
                                 y3="-2.363358"
                                 z3="2.08048"/>
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                                 z3="0.073061"/>
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                                 x3="0.963199"
                                 y3="-4.631181"
                                 z3="2.497028"/>
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                                 id="a38"
                                 x3="2.133846"
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                                 id="a39"
                                 x3="0.043131"
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                                 z3="1.450312"/>
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                                 z3="0.548523"/>
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                                 id="a46"
                                 x3="-1.827497"
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                           <bond atomRefs2="a3 a23" order="S"/>
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                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
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                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
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                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO5Si.H2O.28O.7W/c;;1-6(2,3)5-7-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/p-1/rH2Mo2O34SiW7/c3-1(4)18-38(7,8)27-40(11,12)29-41(13,28-38)20-2(5)19-39(9,10)30-42(14,15,23-2,31-40)25-37(6)26-45-35-44(17,22-1,32-39)34-43(16,21-1,24-2,33-41)36(37)44/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,15,16,23,14,36,45;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;11;3;5;10/E:;;(1,2,3);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3-1,4-1,7.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OO3OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H/rB:;;;s2;;;s6;s7;;;;;;s3s6;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14s23;s28;/rC:.3511,-2.9656,-1.8118;-.3273,.2338,-5.1915;-.5463,2.9458,1.6153;3.0533,-.5699,2.0168;.028,-.0066,-3.4904;2.3834,2.6075,-.0035;-.0785,-.2026,3.6418;3.8853,3.5353,.1022;.0453,.1266,5.3799;.498,-3.0339,1.885;2.9717,-.6406,-1.8101;-.6001,3.2755,-1.8105;.577,-.722,-1.2666;-1.7502,.013,-.0524;.3256,1.5878,.0695;.4591,-.7675,1.4454;-1.2424,-3.2041,1.648;.1356,1.867,-2.9001;-1.8168,-.4374,3.4383;2.8126,1.2714,-1.3201;-2.2534,2.6524,-1.8382;3.3378,-.9781,-.0323;-2.1066,2.0152,1.2476;.961,-3.2375,.0015;-.0129,1.5972,2.9356;-1.3667,-3.0175,-1.4119;2.8741,1.2071,1.3013;-1.7598,-.0092,-2.7489;1.9295,-.0366,-3.4474;-.6659,4.6662,-2.8876;1.4652,3.614,-1.2802;.3446,-2.1069,3.62;2.3825,-2.3714,-2.1895;-.8039,4.0296,-.0161;2.5542,-2.3634,2.0805;-.1105,-.0224,.0731;.9632,-4.6312,2.497;2.1338,-.0971,3.5385;.0431,-1.9408,-3.498;1.3763,3.4399,1.4503;.6451,-4.5602,-2.5264;4.578,-.6508,-2.5352;-1.0664,4.2062,2.7432;4.7379,-.6025,2.5225;-2.0053,.9893,.5485;-1.8275,.0358,-1.733;/R:/0/N:12,4,21,30,44,13,28,2,9,19,26,41,42,17,37,8,43,18,38,22,31,34,35,27,16,14,39,29,33,32,24,25,20,40,23,15,36,5,7,1,11,10,6,3,45/E:(3,4)(9,10)(11,12)(14,15)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,36.3,45.2</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">-14.86076980</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01916742</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">0.00377479</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">0.01916742</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00377479</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.19305058</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">0.03795713</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="0.328925"
                                 y3="-2.937975"
                                 z3="-1.789801"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.306153"
                                 y3="0.2590"
                                 z3="-5.216468"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.597279"
                                 y3="2.892382"
                                 z3="1.58192"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.066749"
                                 y3="-0.558078"
                                 z3="2.031275"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.043573"
                                 y3="0.026472"
                                 z3="-3.517049"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.35191"
                                 y3="2.623038"
                                 z3="0.015618"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.055256"
                                 y3="-0.223555"
                                 z3="3.685074"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.8771"
                                 y3="3.513837"
                                 z3="0.109371"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.091224"
                                 y3="0.144675"
                                 z3="5.413258"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.53315"
                                 y3="-3.03623"
                                 z3="1.901569"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.962576"
                                 y3="-0.641624"
                                 z3="-1.792685"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.601086"
                                 y3="3.315122"
                                 z3="-1.868145"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.556328"
                                 y3="-0.732897"
                                 z3="-1.243663"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.751907"
                                 y3="0.017169"
                                 z3="0.001762"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.332232"
                                 y3="1.563351"
                                 z3="0.096526"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.466708"
                                 y3="-0.782654"
                                 z3="1.470294"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.212683"
                                 y3="-3.180271"
                                 z3="1.678007"/>
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                                 x3="0.175308"
                                 y3="1.900216"
                                 z3="-2.912308"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.790367"
                                 y3="-0.524259"
                                 z3="3.540412"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.757441"
                                 y3="1.249529"
                                 z3="-1.298248"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.253323"
                                 y3="2.676498"
                                 z3="-1.946912"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.324018"
                                 y3="-1.002898"
                                 z3="-0.024747"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.122927"
                                 y3="2.010652"
                                 z3="1.202072"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.975964"
                                 y3="-3.253192"
                                 z3="0.007618"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-0.059185"
                                 y3="1.563796"
                                 z3="2.936134"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.377253"
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                                 y3="3.617234"
                                 z3="-1.292824"/>
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                                 id="a32"
                                 x3="0.394545"
                                 y3="-2.111267"
                                 z3="3.65168"/>
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                                 id="a33"
                                 x3="2.351008"
                                 y3="-2.36762"
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                                 z3="-0.063863"/>
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                                 x3="2.571733"
                                 y3="-2.364288"
                                 z3="2.099523"/>
                           <atom elementType="Si"
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                                 x3="-0.086914"
                                 y3="-0.041059"
                                 z3="0.101755"/>
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                                 id="a37"
                                 x3="0.97916"
                                 y3="-4.638939"
                                 z3="2.513433"/>
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                                 id="a38"
                                 x3="2.157043"
                                 y3="-0.0946"
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                                 id="a39"
                                 x3="-0.005563"
                                 y3="-1.895871"
                                 z3="-3.482881"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.37115"
                                 y3="3.414598"
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                           <atom elementType="O"
                                 id="a41"
                                 x3="0.576107"
                                 y3="-4.521295"
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                           <atom elementType="O"
                                 id="a42"
                                 x3="4.570715"
                                 y3="-0.660702"
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                           <atom elementType="O"
                                 id="a43"
                                 x3="-1.074472"
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                           <atom elementType="O"
                                 id="a44"
                                 x3="4.758757"
                                 y3="-0.593137"
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                           <atom elementType="H"
                                 id="a45"
                                 x3="-1.989625"
                                 y3="0.796242"
                                 z3="0.435293"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.829066"
                                 y3="0.130749"
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                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" 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 a29" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/p-1/rH2Mo2O34SiW7/c3-1(4)19-38(7,8)28-40(11)21-2(5)20-39(9,10)30-41(12,13,24-2)26-37(6,27-42(14,15,29-38,32-40)34-41)36-43(16,17,22-1,31-39)35-44(36,18,23-1,25-2)33-40/h6-7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;14,13,15,16,36;28;2;8;9;17;18;19;20;21;22;23;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;3;6;7;11;1;5;10/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOOO3OO1OO1OO1OO1OOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;s1;;s3s6;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14;s28;/rC:.3289,-2.938,-1.7898;-.3062,.259,-5.2165;-.5973,2.8924,1.5819;3.0667,-.5581,2.0313;.0436,.0265,-3.517;2.3519,2.623,.0156;-.0553,-.2236,3.6851;3.8771,3.5138,.1094;.0912,.1447,5.4133;.5332,-3.0362,1.9016;2.9626,-.6416,-1.7927;-.6011,3.3151,-1.8681;.5563,-.7329,-1.2437;-1.7519,.0172,.0018;.3322,1.5634,.0965;.4667,-.7827,1.4703;-1.2127,-3.1803,1.678;.1753,1.9002,-2.9123;-1.7904,-.5243,3.5404;2.7574,1.2495,-1.2982;-2.2533,2.6765,-1.9469;3.324,-1.0029,-.0247;-2.1229,2.0107,1.2021;.976,-3.2532,.0076;-.0592,1.5638,2.9361;-1.3773,-2.9655,-1.3388;2.8793,1.1902,1.311;-1.7671,.0924,-2.7903;1.9262,-.0373,-3.4472;-.6406,4.7155,-2.9325;1.4625,3.6172,-1.2928;.3945,-2.1113,3.6517;2.351,-2.3676,-2.1868;-.8088,4.0027,-.0639;2.5717,-2.3643,2.0995;-.0869,-.0411,.1018;.9792,-4.6389,2.5134;2.157,-.0946,3.5647;-.0056,-1.8959,-3.4829;1.3712,3.4146,1.4494;.5761,-4.5213,-2.5469;4.5707,-.6607,-2.5123;-1.0745,4.1907,2.6944;4.7588,-.5931,2.5101;-1.9896,.7962,.4353;-1.8291,.1307,-1.7978;/R:/0/N:12,4,21,30,44,14,28,2,9,19,42,17,37,26,41,23,43,8,18,38,22,34,31,35,27,16,13,29,39,32,25,33,20,24,40,15,36,5,7,11,10,1,3,6/E:(3,4)(9,10)(12,13)(14,15)(16,17)/CRV:3.1,4.1,5.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,36.3</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">-14.84796907</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.18875938</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">0.02454374</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">0.18875938</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02454374</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.09426069</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">0.01564600</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="0.337729"
                                 y3="-2.942237"
                                 z3="-1.791819"/>
                           <atom elementType="O"
                                 id="a2"
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                                 y3="0.250828"
                                 z3="-5.221806"/>
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                                 id="a3"
                                 x3="-0.590605"
                                 y3="2.903474"
                                 z3="1.59075"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.068863"
                                 y3="-0.557171"
                                 z3="2.032108"/>
                           <atom elementType="W"
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                                 x3="0.04502"
                                 y3="0.017322"
                                 z3="-3.521641"/>
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                                 y3="-3.034329"
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                                 x3="-0.601978"
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                                 z3="-1.862201"/>
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                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
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                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
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                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
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                           <bond atomRefs2="a7 a19" order="S"/>
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                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
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                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
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                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1/p-1/rH2Mo2O34SiW7/c3-1(4)19-38(7,8)28-40(11)21-2(5)20-39(9,10)30-41(12,13,24-2)26-37(6,27-42(14,15,29-38,32-40)34-41)36-43(16,17,22-1,31-39)35-44(36,18,23-1,25-2)33-40/h6-7H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">56</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-14.85840088</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03769576</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">0.00756591</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">0.03769576</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00756591</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06076747</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">
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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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                                 y3="3.425166"
                                 z3="1.456944"/>
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                                 y3="-4.535606"
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                                 x3="4.578101"
                                 y3="-0.648968"
                                 z3="-2.513858"/>
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                                 id="a43"
                                 x3="-1.06472"
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                                 z3="2.721805"/>
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                                 x3="4.747308"
                                 y3="-0.59978"
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                                 id="a45"
                                 x3="-2.021828"
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                                 id="a46"
                                 x3="-1.838594"
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                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" 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 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a16" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO5Si.H2O.28O.7W/c;;1-6(2,3)5-7-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+1/p-1/rH2Mo2O34SiW7/c3-1(4)17-38(6,7)27-40(10)19-2(5)18-39(8,9)29-41(11,12,22-2)24-37(25-42(13,14,28-38,31-40)33-41)26-45-35-44(16,21-1,30-39)34-43(15,20-1,23-2,32-40)36(37)44/h6H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,15,16,23,14,36,45;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;6;7;11;1;3;5;10/E:;;(1,2,3);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3-1,4-1,7.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoOOO3OO1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H/rB:;;;s2;;;s6;s7;;;;s1;;s3s6;s10;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14s23;s28;/rC:.3502,-2.9487,-1.8037;-.3058,.2517,-5.2167;-.5787,2.9241,1.6056;3.0601,-.5605,2.0289;.0396,.0078,-3.5146;2.3664,2.6158,.0035;-.0656,-.2094,3.6637;3.8866,3.5137,.1007;.0844,.1515,5.3923;.5226,-3.0362,1.8954;2.9698,-.6369,-1.7935;-.6021,3.2935,-1.8351;.5603,-.7338,-1.2615;-1.7528,-.0222,-.0331;.3222,1.5675,.0893;.4649,-.778,1.4603;-1.2202,-3.1937,1.6665;.1561,1.8804,-2.8993;-1.8028,-.4753,3.4953;2.7755,1.2562,-1.3116;-2.248,2.6549,-1.8792;3.3276,-1.0059,-.0283;-2.1425,2.0382,1.2212;.9706,-3.2556,.004;-.0493,1.5848,2.934;-1.3627,-2.9879,-1.3823;2.8838,1.1921,1.2961;-1.7641,.0429,-2.787;1.9304,-.0387,-3.452;-.6606,4.6915,-2.9032;1.4749,3.6089,-1.2903;.3731,-2.1088,3.6367;2.3692,-2.3632,-2.2019;-.7924,4.0221,-.0339;2.5649,-2.3608,2.0946;-.1023,-.0388,.0892;.9716,-4.6365,2.5121;2.1446,-.0907,3.5517;.0089,-1.9172,-3.4929;1.374,3.4252,1.4569;.6089,-4.5356,-2.5506;4.5781,-.649,-2.5139;-1.0647,4.2092,2.7218;4.7473,-.5998,2.5259;-2.0218,.9127,.5154;-1.8386,.0789,-1.7766;/R:/0/N:12,4,21,30,44,28,2,9,19,42,17,37,26,41,8,43,18,38,22,31,34,35,27,16,13,14,29,39,32,25,33,20,24,40,23,15,36,5,7,11,10,1,6,3,45/E:(3,4)(8,9)(11,12)(13,14)/CRV:3.1,4.1,5.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,36.3,45.2</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">-14.86137066</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02130602</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">0.00423980</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">0.02130602</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00423980</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04540712</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">0.01257183</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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                     <molecule id="geometry.cycle">
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                                 y3="-2.106935"
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                                 x3="2.379078"
                                 y3="-2.367048"
                                 z3="-2.194101"/>
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                                 id="a34"
                                 x3="-0.79372"
                                 y3="4.034212"
                                 z3="-0.023613"/>
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                                 id="a35"
                                 x3="2.551015"
                                 y3="-2.364988"
                                 z3="2.089188"/>
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                                 x3="-0.102147"
                                 y3="-0.02439"
                                 z3="0.080695"/>
                           <atom elementType="O"
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                                 x3="0.95714"
                                 y3="-4.640861"
                                 z3="2.502273"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.142835"
                                 y3="-0.098327"
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                                 id="a39"
                                 x3="0.030953"
                                 y3="-1.935863"
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                           <atom elementType="O"
                                 id="a40"
                                 x3="1.376461"
                                 y3="3.441836"
                                 z3="1.451347"/>
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                                 x3="0.629786"
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                                 x3="-1.067422"
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                                 x3="4.743475"
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                                 id="a45"
                                 x3="-2.013731"
                                 y3="0.941712"
                                 z3="0.496487"/>
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                                 id="a46"
                                 x3="-1.822715"
                                 y3="0.052141"
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                           <bond atomRefs2="a1 a39" order="S"/>
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                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
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                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" 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"/>
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                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO5Si.H2O.28O.7W/c;;1-6(2,3)5-7-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)19-38(8,9)28-41(14,15)29-39(10,11)20-2(5)21-40(12,13,27-39)32-44(18,24-1)34-43(17,23-1,25-2,33-42(16,22-2,30-38)31-41)36(44)37(6,7)26-45-35-44/h8H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;13,15,16,23,14,36,45;28;2;8;9;17;18;19;20;21;22;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(1,2,3);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1.1,2.1,3.1,4-1,7.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OO3O1O1OO1OO1OOOOO1OOOO1OOOOOSiO1OOOO1O1O1O1H2H/rB:;;;s2;;;s6;s7;;;;;;s3s6;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14s23;s28;/rC:.3545,-2.9659,-1.8108;-.3223,.2375,-5.2024;-.5709,2.9368,1.6132;3.0575,-.5692,2.0202;.0287,-.0009,-3.4997;2.3746,2.6145,.0064;-.0728,-.2043,3.6482;3.8869,3.528,.0944;.0662,.1362,5.3828;.5156,-3.0372,1.8882;2.9665,-.6336,-1.8022;-.5976,3.2919,-1.817;.5704,-.7257,-1.2622;-1.7502,.0129,-.0479;.3214,1.5846,.0838;.4625,-.7669,1.4506;-1.2283,-3.1803,1.6519;.1301,1.8658,-2.897;-1.8105,-.4631,3.4668;2.7893,1.2623,-1.3122;-2.2493,2.6636,-1.849;3.3279,-.992,-.0261;-2.1263,2.0315,1.2442;.971,-3.2573,.0009;-.035,1.5967,2.9402;-1.3609,-3.0076,-1.3942;2.8846,1.2025,1.3009;-1.7622,-.0025,-2.7625;1.9291,-.038,-3.4531;-.6614,4.6818,-2.8948;1.4731,3.6054,-1.2906;.3613,-2.1069,3.625;2.3791,-2.367,-2.1941;-.7937,4.0342,-.0236;2.551,-2.365,2.0892;-.1021,-.0244,.0807;.9571,-4.6409,2.5023;2.1428,-.0983,3.5435;.031,-1.9359,-3.4927;1.3765,3.4418,1.4513;.6298,-4.557,-2.5428;4.5776,-.6419,-2.5197;-1.0674,4.2113,2.7369;4.7435,-.6107,2.5232;-2.0137,.9417,.4965;-1.8227,.0521,-1.7466;/R:/0/N:12,4,21,30,44,13,16,28,2,17,37,9,19,26,41,42,8,43,18,35,38,22,31,34,27,14,32,39,24,29,33,25,20,40,23,15,36,5,10,7,1,11,6,3,45/E:(3,4)(6,7)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,7.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,36.3,45.2</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">-14.86243390</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02214367</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">0.00397073</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">0.02214367</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00397073</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02123621</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">0.00786250</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="0.347648"
                                 y3="-2.967923"
                                 z3="-1.815576"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.310249"
                                 y3="0.235049"
                                 z3="-5.201696"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.565447"
                                 y3="2.949299"
                                 z3="1.619361"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.055876"
                                 y3="-0.574235"
                                 z3="2.014041"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.033758"
                                 y3="-0.002863"
                                 z3="-3.498143"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.377515"
                                 y3="2.613668"
                                 z3="0.00662"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.075403"
                                 y3="-0.200984"
                                 z3="3.638683"/>
                           <atom elementType="O"
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                                 x3="3.882379"
                                 y3="3.540068"
                                 z3="0.088205"/>
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                                 x3="0.05595"
                                 y3="0.126472"
                                 z3="5.376671"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.511787"
                                 y3="-3.036818"
                                 z3="1.885911"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.966719"
                                 y3="-0.633813"
                                 z3="-1.802456"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.601587"
                                 y3="3.281081"
                                 z3="-1.80219"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.577748"
                                 y3="-0.717203"
                                 z3="-1.262399"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.751397"
                                 y3="0.024154"
                                 z3="-0.049457"/>
                           <atom elementType="O"
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                                 x3="0.318445"
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                           <atom elementType="O"
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                                 x3="0.46435"
                                 y3="-0.761175"
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                                 x3="-1.810528"
                                 y3="-0.456409"
                                 z3="3.449187"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.804464"
                                 y3="1.26332"
                                 z3="-1.312126"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.251725"
                                 y3="2.646843"
                                 z3="-1.829279"/>
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                                 id="a22"
                                 x3="3.329391"
                                 y3="-0.982761"
                                 z3="-0.022297"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.120354"
                                 y3="2.038618"
                                 z3="1.26227"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.959902"
                                 y3="-3.254194"
                                 z3="-0.001296"/>
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                                 id="a25"
                                 x3="-0.024158"
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                                 z3="-1.292299"/>
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                                 y3="-2.104968"
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                                 x3="2.541593"
                                 y3="-2.367455"
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                                 x3="0.953562"
                                 y3="-4.642055"
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                                 y3="-0.100695"
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                                 id="a39"
                                 x3="0.04939"
                                 y3="-1.94244"
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                                 id="a40"
                                 x3="1.380852"
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                                 id="a41"
                                 x3="0.629431"
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                                 id="a42"
                                 x3="4.578659"
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                                 id="a43"
                                 x3="-1.057399"
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                                 x3="4.740792"
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                                 id="a45"
                                 x3="-2.000353"
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                                 id="a46"
                                 x3="-1.828209"
                                 y3="0.04186"
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                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" 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 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)29-41(15,16)30-39(11,12)22-2(5)23-40(13,14,28-39)33-43(18,19,25-1)35-44(20,26-1,27-2,36(43)37(6,7)8)34-42(17,24-2,31-38)32-41/h6,9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;14,13,15,16,36;28;2;8;9;17;18;19;20;21;22;23;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;3;6;7;10;11;5/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OO3O1O1OO1OO1OO1OOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3s6;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14;s28;/rC:.3476,-2.9679,-1.8156;-.3102,.235,-5.2017;-.5654,2.9493,1.6194;3.0559,-.5742,2.014;.0338,-.0029,-3.4981;2.3775,2.6137,.0066;-.0754,-.201,3.6387;3.8824,3.5401,.0882;.0559,.1265,5.3767;.5118,-3.0368,1.8859;2.9667,-.6338,-1.8025;-.6016,3.2811,-1.8022;.5777,-.7172,-1.2624;-1.7514,.0242,-.0495;.3184,1.5956,.0821;.4643,-.7612,1.4452;-1.2337,-3.1743,1.6539;.1205,1.8566,-2.8973;-1.8105,-.4564,3.4492;2.8045,1.2633,-1.3121;-2.2517,2.6468,-1.8293;3.3294,-.9828,-.0223;-2.1204,2.0386,1.2623;.9599,-3.2542,-.0013;-.0242,1.6056,2.9457;-1.3698,-3.0034,-1.4075;2.8865,1.2105,1.3026;-1.7606,-.0237,-2.7703;1.9352,-.0364,-3.4523;-.6762,4.6668,-2.8845;1.4665,3.5998,-1.2923;.3586,-2.105,3.6201;2.3812,-2.3694,-2.1831;-.8018,4.0405,-.0171;2.5416,-2.3675,2.0842;-.1026,-.0167,.0774;.9536,-4.6421,2.495;2.1444,-.1007,3.5365;.0494,-1.9424,-3.4969;1.3809,3.4526,1.4455;.6294,-4.5635,-2.5326;4.5787,-.6474,-2.5168;-1.0574,4.2199,2.75;4.7408,-.6183,2.5192;-2.0004,.9317,.5114;-1.8282,.0419,-1.7619;/R:/0/N:12,4,21,30,44,14,13,16,28,2,17,37,9,19,26,41,42,23,43,8,18,35,38,22,34,31,27,32,39,24,29,33,25,20,40,15,36,5,10,7,1,11,3,6/E:(3,4)(7,8)(11,12)(13,14)(15,16)(18,19)/CRV:3.1,4.1,5.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1,36.3</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">-14.86330119</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02244066</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">0.00398088</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">0.02244066</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00398088</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01933355</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">0.00627734</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="0.342447"
                                 y3="-2.969512"
                                 z3="-1.81959"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.303772"
                                 y3="0.230978"
                                 z3="-5.199857"/>
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                                 x3="-0.564929"
                                 y3="2.958234"
                                 z3="1.623842"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.05361"
                                 y3="-0.57684"
                                 z3="2.008645"/>
                           <atom elementType="W"
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                           <atom elementType="Mo"
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                           <bond atomRefs2="a3 a15" order="S"/>
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                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
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                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
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                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
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                           <bond atomRefs2="a12 a21" order="S"/>
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                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)29-41(15,16)30-39(11,12)22-2(5)23-40(13,14,28-39)33-43(18,19,25-1)35-44(20,26-1,27-2,36(43)37(6,7)8)34-42(17,24-2,31-38)32-41/h6,9H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <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">-14.86423722</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01899140</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">0.00372935</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">0.01899140</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00372935</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04815561</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.01000000</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
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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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                                 z3="-2.490738"/>
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                                 x3="4.576826"
                                 y3="-0.658854"
                                 z3="-2.525426"/>
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                                 x3="-1.027305"
                                 y3="4.254911"
                                 z3="2.779239"/>
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                                 id="a44"
                                 x3="4.723184"
                                 y3="-0.632535"
                                 z3="2.517635"/>
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                                 x3="-2.00066"
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                                 z3="0.487644"/>
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                                 id="a46"
                                 x3="-1.8587"
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                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a35" 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 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)29-41(15,16)30-39(11,12)22-2(5)23-40(13,14,28-39)33-43(18,19,25-1)35-44(20,26-1,27-2,36(43)37(6,7)8)34-42(17,24-2,31-38)32-41/h6,9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;14,13,15,16,36;28;2;8;9;17;18;19;20;21;22;23;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;3;6;7;10;11;5/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OO3O1O1OO1OO1OO1OOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3s6;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14;s28;/rC:.3401,-2.9673,-1.8272;-.2864,.232,-5.2045;-.5675,2.9815,1.6383;3.043,-.5789,2.0021;.0444,-.0035,-3.4985;2.389,2.6137,.0091;-.0848,-.1897,3.6231;3.8826,3.5565,.0826;.0491,.0952,5.3675;.5126,-3.0446,1.8923;2.9693,-.6316,-1.8044;-.6038,3.2566,-1.7639;.5939,-.6851,-1.2662;-1.7444,.0149,-.0368;.3105,1.6191,.0716;.4773,-.7435,1.4388;-1.2385,-3.1724,1.672;.0997,1.8394,-2.9126;-1.8206,-.4242,3.4299;2.849,1.2606,-1.3094;-2.2401,2.5878,-1.7684;3.34,-.9632,-.0191;-2.111,2.082,1.3121;.9264,-3.2415,-.0034;.007,1.6233,2.9511;-1.3869,-2.9702,-1.462;2.882,1.226,1.3145;-1.7676,-.079,-2.7965;1.9444,-.0333,-3.4522;-.72,4.6335,-2.8513;1.4599,3.5927,-1.294;.3441,-2.0992,3.6145;2.3782,-2.3706,-2.1697;-.8158,4.0589,-.0011;2.5131,-2.3723,2.0677;-.0826,.0019,.0744;.9565,-4.6559,2.4817;2.1398,-.1038,3.5233;.0987,-1.9502,-3.5088;1.3948,3.4709,1.4249;.6232,-4.5825,-2.4907;4.5768,-.6589,-2.5254;-1.0273,4.2549,2.7792;4.7232,-.6325,2.5176;-2.0007,.8763,.4876;-1.8587,.0168,-1.8096;/R:/0/N:12,4,21,30,44,14,13,16,28,2,17,37,9,19,26,41,42,23,43,8,18,35,38,22,34,31,27,32,39,24,29,33,25,20,40,15,36,5,10,7,1,11,3,6/E:(3,4)(7,8)(11,12)(13,14)(15,16)(18,19)/CRV:3.1,4.1,5.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1,36.3</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">-14.86608286</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01852564</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">0.00395216</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">0.01852564</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00395216</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04008205</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">0.00853814</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">
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                           <atom elementType="O"
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                                 y3="3.589312"
                                 z3="-1.297136"/>
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                                 x3="0.341076"
                                 y3="-2.097097"
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                                 id="a33"
                                 x3="2.375189"
                                 y3="-2.366676"
                                 z3="-2.172568"/>
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                                 id="a34"
                                 x3="-0.807782"
                                 y3="4.065269"
                                 z3="0.002841"/>
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                                 id="a35"
                                 x3="2.51174"
                                 y3="-2.372203"
                                 z3="2.066457"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.075652"
                                 y3="0.002613"
                                 z3="0.078482"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.960423"
                                 y3="-4.660232"
                                 z3="2.485368"/>
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                                 id="a38"
                                 x3="2.136877"
                                 y3="-0.102004"
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                           <atom elementType="O"
                                 id="a39"
                                 x3="0.10105"
                                 y3="-1.947305"
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                           <atom elementType="O"
                                 id="a40"
                                 x3="1.399417"
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                           <atom elementType="O"
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                                 x3="-1.013914"
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                                 x3="4.719452"
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                                 x3="-2.018688"
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                                 z3="0.473131"/>
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                                 x3="-1.870921"
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                                 z3="-1.838022"/>
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                           <bond atomRefs2="a2 a5" order="S"/>
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                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;14,13,15,16,36;28;2;8;9;17;18;19;20;21;22;23;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OOO1O1OO1OO1OO1OOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14;s28;/rC:.344,-2.964,-1.827;-.2749,.2311,-5.2176;-.5765,2.9846,1.6454;3.0399,-.5762,2.0034;.05,-.0018,-3.5094;2.3899,2.6164,.0108;-.0845,-.1855,3.6274;3.8896,3.5503,.078;.0573,.1011,5.3708;.5155,-3.0477,1.8994;2.9711,-.629,-1.8027;-.6017,3.2562,-1.7576;.5896,-.6797,-1.2701;-1.7422,-.0188,-.0292;.3054,1.6185,.0724;.4832,-.7418,1.4437;-1.236,-3.1798,1.6801;.0989,1.84,-2.9193;-1.8237,-.4159,3.4352;2.8493,1.2591,-1.3083;-2.2285,2.5663,-1.7517;3.346,-.9662,-.0192;-2.1192,2.1043,1.3268;.9182,-3.236,-.0003;.0098,1.6233,2.9477;-1.3855,-2.9558,-1.4708;2.8783,1.2249,1.315;-1.7746,-.0791,-2.8222;1.9474,-.0321,-3.4542;-.7353,4.6323,-2.844;1.4617,3.5893,-1.2971;.3411,-2.0971,3.6179;2.3752,-2.3667,-2.1726;-.8078,4.0653,.0028;2.5117,-2.3722,2.0665;-.0757,.0026,.0785;.9604,-4.6602,2.4854;2.1369,-.102,3.5265;.1011,-1.9473,-3.5107;1.3994,3.4703,1.424;.6151,-4.5843,-2.4868;4.5761,-.6581,-2.5309;-1.0139,4.267,2.786;4.7195,-.6331,2.5231;-2.0187,.8362,.4731;-1.8709,.0322,-1.838;/R:/0/N:12,4,21,30,44,14,13,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(7,8)(11,12)(13,14)(15,16)(19,20)/CRV:3.1,4.1,5.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1</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">-14.86743165</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01000292</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">0.00290452</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">0.01000292</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00290452</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04194933</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">0.01199115</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="0.351759"
                                 y3="-2.96241"
                                 z3="-1.826003"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.256351"
                                 y3="0.230784"
                                 z3="-5.23683"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.584081"
                                 y3="2.98854"
                                 z3="1.657765"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.038599"
                                 y3="-0.573309"
                                 z3="2.007854"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.058599"
                                 y3="-0.001253"
                                 z3="-3.525595"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.390926"
                                 y3="2.62237"
                                 z3="0.010637"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.084519"
                                 y3="-0.180155"
                                 z3="3.63156"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.900537"
                                 y3="3.5419"
                                 z3="0.064343"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.059857"
                                 y3="0.125635"
                                 z3="5.371277"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.517732"
                                 y3="-3.049053"
                                 z3="1.903424"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.973187"
                                 y3="-0.625757"
                                 z3="-1.79587"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.601002"
                                 y3="3.254755"
                                 z3="-1.745585"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.578793"
                                 y3="-0.680039"
                                 z3="-1.274302"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.7440"
                                 y3="-0.055768"
                                 z3="-0.022735"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.29365"
                                 y3="1.616977"
                                 z3="0.077108"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.490399"
                                 y3="-0.74055"
                                 z3="1.447733"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.232188"
                                 y3="-3.185394"
                                 z3="1.677843"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.095036"
                                 y3="1.837647"
                                 z3="-2.91882"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.824519"
                                 y3="-0.404764"
                                 z3="3.435946"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.837808"
                                 y3="1.259326"
                                 z3="-1.308805"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.212187"
                                 y3="2.536919"
                                 z3="-1.714453"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.351905"
                                 y3="-0.977968"
                                 z3="-0.01784"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.141308"
                                 y3="2.137863"
                                 z3="1.345275"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.917331"
                                 y3="-3.2335"
                                 z3="0.002187"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.009622"
                                 y3="1.622752"
                                 z3="2.942235"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.377378"
                                 y3="-2.946355"
                                 z3="-1.466836"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.876309"
                                 y3="1.219612"
                                 z3="1.306339"/>
                           <atom elementType="O"
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                                 x3="-1.780576"
                                 y3="-0.083374"
                                 z3="-2.859631"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="1.954296"
                                 y3="-0.02869"
                                 z3="-3.455611"/>
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                                 id="a30"
                                 x3="-0.759211"
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                                 z3="-2.834904"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.466002"
                                 y3="3.580033"
                                 z3="-1.306219"/>
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                                 id="a32"
                                 x3="0.339297"
                                 y3="-2.094579"
                                 z3="3.618452"/>
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                                 x3="2.373738"
                                 y3="-2.361147"
                                 z3="-2.176026"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.786053"
                                 y3="4.077287"
                                 z3="0.013796"/>
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                                 id="a35"
                                 x3="2.516614"
                                 y3="-2.371971"
                                 z3="2.06812"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.074751"
                                 y3="0.003353"
                                 z3="0.084612"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.959893"
                                 y3="-4.66148"
                                 z3="2.492862"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.13606"
                                 y3="-0.10109"
                                 z3="3.532396"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.09509"
                                 y3="-1.94488"
                                 z3="-3.513018"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.409029"
                                 y3="3.469817"
                                 z3="1.428801"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.609261"
                                 y3="-4.582682"
                                 z3="-2.496429"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.576524"
                                 y3="-0.653364"
                                 z3="-2.529693"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.99043"
                                 y3="4.277992"
                                 z3="2.802214"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.717803"
                                 y3="-0.634466"
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                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.052924"
                                 y3="0.794294"
                                 z3="0.448267"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.88238"
                                 y3="0.050354"
                                 z3="-1.875992"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">63</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">63</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-14.86864037</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00965314</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">0.00202962</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">0.00965314</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00202962</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02566184</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">0.00693887</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="0.354725"
                                 y3="-2.966673"
                                 z3="-1.826933"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.244032"
                                 y3="0.228016"
                                 z3="-5.243042"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.586451"
                                 y3="2.994142"
                                 z3="1.667839"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.039418"
                                 y3="-0.575073"
                                 z3="2.007136"/>
                           <atom elementType="W"
                                 id="a5"
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                                 y3="2.624523"
                                 z3="0.013375"/>
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                                 x3="-0.081373"
                                 y3="-0.173481"
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                                 x3="3.90282"
                                 y3="3.541687"
                                 z3="0.057004"/>
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                                 id="a9"
                                 x3="0.055694"
                                 y3="0.135653"
                                 z3="5.368297"/>
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                                 x3="0.513697"
                                 y3="-3.047105"
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                                 id="a11"
                                 x3="2.97292"
                                 y3="-0.624647"
                                 z3="-1.793609"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.600384"
                                 y3="3.251653"
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                                 x3="0.573171"
                                 y3="-0.680356"
                                 z3="-1.276808"/>
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                                 y3="-0.735828"
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                                 x3="-0.773883"
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                                 id="a31"
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                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
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                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
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                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <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">-14.86903843</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00892434</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">0.00211815</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">0.00892434</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00211815</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04637006</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">0.01062839</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>
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                                 x3="-0.075015"
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                                 z3="2.83562"/>
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                                 y3="-0.638422"
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                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;14,13,15,16,36;28;2;8;9;17;18;19;20;21;22;23;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OOO1O1OO1OO1OO1OOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14;s28;/rC:.359,-2.9741,-1.8267;-.2253,.223,-5.2474;-.585,3.0027,1.6817;3.046,-.5808,2.0059;.0655,-.0079,-3.5315;2.3926,2.626,.0173;-.075,-.1646,3.621;3.9029,3.5445,.0463;.0437,.1468,5.362;.5031,-3.0426,1.8943;2.9746,-.6244,-1.7915;-.5982,3.2467,-1.7198;.5636,-.685,-1.2802;-1.756,-.064,-.032;.2695,1.6238,.0814;.4931,-.7338,1.4367;-1.2422,-3.1845,1.6516;.0791,1.8194,-2.9079;-1.8115,-.3743,3.3915;2.8239,1.2574,-1.3033;-2.1981,2.5067,-1.6561;3.3586,-.9873,-.0145;-2.1628,2.1835,1.4117;.9302,-3.2317,.0011;.0285,1.6377,2.9414;-1.3673,-2.9829,-1.4559;2.8801,1.2159,1.2969;-1.7903,-.0996,-2.9032;1.966,-.0318,-3.4569;-.7913,4.6069,-2.8187;1.4634,3.5604,-1.3175;.3275,-2.0886,3.6036;2.3782,-2.3618,-2.1706;-.7738,4.0868,.035;2.5244,-2.373,2.0734;-.0886,.0075,.0787;.9454,-4.6504,2.4945;2.1413,-.105,3.5317;.0905,-1.9529,-3.5123;1.4224,3.479,1.4311;.635,-4.5844,-2.5129;4.5811,-.6469,-2.5187;-.9567,4.2929,2.8356;4.7233,-.6384,2.534;-2.0838,.7738,.4444;-1.8948,.0704,-1.9255;/R:/0/N:12,4,21,30,44,14,13,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(7,8)(11,12)(13,14)(15,16)(19,20)/CRV:3.1,4.1,5.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1</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">-14.86954234</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00937417</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">0.00238384</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">0.00937417</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00238384</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01652704</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">0.00483260</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">
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                                 id="a30"
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                                 id="a31"
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                                 id="a32"
                                 x3="0.324241"
                                 y3="-2.087152"
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                                 id="a33"
                                 x3="2.378825"
                                 y3="-2.362185"
                                 z3="-2.167338"/>
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                                 id="a34"
                                 x3="-0.774543"
                                 y3="4.088767"
                                 z3="0.039894"/>
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                                 id="a35"
                                 x3="2.524648"
                                 y3="-2.371892"
                                 z3="2.074209"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.093151"
                                 y3="0.00966"
                                 z3="0.074493"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.940681"
                                 y3="-4.646406"
                                 z3="2.493183"/>
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                                 id="a38"
                                 x3="2.142394"
                                 y3="-0.105388"
                                 z3="3.529999"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.093394"
                                 y3="-1.956215"
                                 z3="-3.511844"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.425403"
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                                 z3="1.428149"/>
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                                 z3="-2.51263"/>
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                                 z3="-2.516663"/>
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                                 x3="-0.947968"
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                                 id="a44"
                                 x3="4.726083"
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                                 z3="0.432176"/>
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                                 id="a46"
                                 x3="-1.901749"
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                                 z3="-1.929857"/>
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                           <bond atomRefs2="a1 a33" order="S"/>
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                           <bond atomRefs2="a1 a26" order="S"/>
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                           <bond atomRefs2="a2 a5" order="S"/>
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                           <bond atomRefs2="a3 a23" order="S"/>
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                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;14,13,15,16,36;28;2;8;9;17;18;19;20;21;22;23;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OOO1O1OO1OO1OO1OOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14;s28;/rC:.3589,-2.9775,-1.828;-.222,.2217,-5.2437;-.584,3.0089,1.688;3.0492,-.5835,2.0053;.0651,-.0103,-3.5275;2.3929,2.6246,.0201;-.0718,-.1607,3.6158;3.8996,3.5476,.0476;.0357,.1407,5.3591;.4964,-3.0404,1.8907;2.9763,-.6245,-1.7918;-.5984,3.2426,-1.7109;.5607,-.6839,-1.2813;-1.7612,-.0633,-.0345;.2613,1.6276,.0801;.4915,-.7311,1.4311;-1.2476,-3.1844,1.645;.0743,1.8145,-2.9035;-1.8058,-.3639,3.3749;2.8229,1.2544,-1.3021;-2.2002,2.5044,-1.6426;3.3589,-.9865,-.014;-2.164,2.1935,1.4236;.9326,-3.2302,.0001;.0379,1.6446,2.9435;-1.3679,-2.9975,-1.4589;2.8838,1.2159,1.2969;-1.7935,-.1047,-2.9047;1.9662,-.0342,-3.4568;-.794,4.5987,-2.815;1.4608,3.5575,-1.3167;.3242,-2.0872,3.5982;2.3788,-2.3622,-2.1673;-.7745,4.0888,.0399;2.5246,-2.3719,2.0742;-.0932,.0097,.0745;.9407,-4.6464,2.4932;2.1424,-.1054,3.53;.0934,-1.9562,-3.5118;1.4254,3.4817,1.4281;.646,-4.5857,-2.5126;4.5829,-.6459,-2.5167;-.948,4.2992,2.8446;4.7261,-.6366,2.5336;-2.0698,.7744,.4322;-1.9017,.0641,-1.9299;/R:/0/N:12,4,21,30,44,14,13,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(7,8)(11,12)(13,14)(15,16)(19,20)/CRV:3.1,4.1,5.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1</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">-14.86988777</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00566442</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">0.00163864</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">0.00566442</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00163864</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01681904</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">0.00428114</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="0.360969"
                                 y3="-2.977997"
                                 z3="-1.828662"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.224721"
                                 y3="0.223747"
                                 z3="-5.238721"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.583212"
                                 y3="3.013326"
                                 z3="1.691821"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.052198"
                                 y3="-0.585762"
                                 z3="2.005409"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.062438"
                                 y3="-0.012335"
                                 z3="-3.522896"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.393887"
                                 y3="2.622332"
                                 z3="0.022673"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.068858"
                                 y3="-0.158071"
                                 z3="3.61194"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.897897"
                                 y3="3.549182"
                                 z3="0.051192"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.029458"
                                 y3="0.131343"
                                 z3="5.357769"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.488971"
                                 y3="-3.038464"
                                 z3="1.888195"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.979875"
                                 y3="-0.623886"
                                 z3="-1.794717"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.597426"
                                 y3="3.23891"
                                 z3="-1.706722"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.557425"
                                 y3="-0.682956"
                                 z3="-1.284584"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.765488"
                                 y3="-0.058777"
                                 z3="-0.037983"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.255796"
                                 y3="1.628799"
                                 z3="0.077656"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.486974"
                                 y3="-0.731764"
                                 z3="1.42579"/>
                           <atom elementType="O"
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                                 x3="-1.25346"
                                 y3="-3.189183"
                                 z3="1.64075"/>
                           <atom elementType="O"
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                                 x3="0.073515"
                                 y3="1.81199"
                                 z3="-2.90047"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.801915"
                                 y3="-0.3545"
                                 z3="3.358114"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.822302"
                                 y3="1.25018"
                                 z3="-1.302556"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.203245"
                                 y3="2.506358"
                                 z3="-1.639537"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.358734"
                                 y3="-0.985778"
                                 z3="-0.015162"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.16186"
                                 y3="2.196393"
                                 z3="1.436761"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.936771"
                                 y3="-3.22928"
                                 z3="0.000086"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.047588"
                                 y3="1.65094"
                                 z3="2.945963"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.366709"
                                 y3="-3.010153"
                                 z3="-1.4625"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.887905"
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                                 id="a29"
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                                 id="a30"
                                 x3="-0.789871"
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                                 z3="-2.812739"/>
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                                 id="a31"
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                                 y3="3.556661"
                                 z3="-1.313847"/>
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                                 id="a32"
                                 x3="0.319738"
                                 y3="-2.087089"
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                                 y3="-2.36138"
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                                 id="a34"
                                 x3="-0.777362"
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                                 z3="0.042275"/>
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                                 id="a35"
                                 x3="2.526211"
                                 y3="-2.370282"
                                 z3="2.076609"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.096381"
                                 y3="0.009917"
                                 z3="0.069357"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.938408"
                                 y3="-4.642188"
                                 z3="2.492557"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.138571"
                                 y3="-0.104121"
                                 z3="3.527021"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.093225"
                                 y3="-1.95803"
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                           <atom elementType="O"
                                 id="a40"
                                 x3="1.426882"
                                 y3="3.482545"
                                 z3="1.423471"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.658963"
                                 y3="-4.585003"
                                 z3="-2.510399"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.587065"
                                 y3="-0.644922"
                                 z3="-2.517879"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.941355"
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                                 z3="2.847031"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.728458"
                                 y3="-0.630767"
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                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.068799"
                                 y3="0.779998"
                                 z3="0.42604"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.904818"
                                 y3="0.053853"
                                 z3="-1.92261"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
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                        </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">-14.87014657</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00473328</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">0.00132910</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">0.00473328</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00132910</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01680535</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">0.00391349</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="0.363064"
                                 y3="-2.975232"
                                 z3="-1.828861"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.22937"
                                 y3="0.227549"
                                 z3="-5.234771"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.581204"
                                 y3="3.015224"
                                 z3="1.693552"/>
                           <atom elementType="Mo"
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                                 x3="3.055474"
                                 y3="-0.586665"
                                 z3="2.006517"/>
                           <atom elementType="W"
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                                 x3="0.060796"
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                                 z3="0.024226"/>
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                                 x3="-0.06774"
                                 y3="-0.157859"
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                                 x3="3.898705"
                                 y3="3.549655"
                                 z3="0.053355"/>
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                                 x3="0.025324"
                                 y3="0.123393"
                                 z3="5.358198"/>
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                                 x3="0.480967"
                                 y3="-3.036223"
                                 z3="1.886631"/>
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                                 id="a11"
                                 x3="2.985449"
                                 y3="-0.622486"
                                 z3="-1.797013"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.596623"
                                 y3="3.235632"
                                 z3="-1.705636"/>
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                                 x3="0.552865"
                                 y3="-0.683075"
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                                 y3="1.628468"
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                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
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                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
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                           <bond atomRefs2="a5 a28" order="S"/>
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                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
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                           <bond atomRefs2="a6 a27" order="S"/>
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                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
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                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <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">-14.87035934</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00366479</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">0.00110017</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">0.00366479</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00110017</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01782405</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">
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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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                                 z3="2.842843"/>
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                                 x3="-2.080726"
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                                 x3="-1.905394"
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                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;14,13,15,16,36;28;2;8;9;17;18;19;20;21;22;23;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OOO1O1OO1OO1OO1OOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14;s28;/rC:.3652,-2.9709,-1.8299;-.2341,.2312,-5.2342;-.5797,3.0148,1.6944;3.0572,-.5858,2.0077;.061,-.0136,-3.5203;2.3979,2.6228,.0245;-.0689,-.1583,3.6116;3.9028,3.5488,.0509;.0229,.121,5.3596;.4749,-3.0334,1.8857;2.9915,-.6202,-1.7977;-.5959,3.2318,-1.7055;.5481,-.684,-1.2906;-1.7714,-.06,-.0435;.2509,1.6277,.0735;.4731,-.7397,1.4218;-1.2649,-3.1988,1.6407;.0754,1.8108,-2.8944;-1.8032,-.3471,3.3469;2.8171,1.2478,-1.3108;-2.2106,2.5187,-1.6411;3.3613,-.9873,-.0187;-2.1577,2.1934,1.4497;.9383,-3.2251,.0025;.0568,1.654,2.9488;-1.3633,-3.0148,-1.4645;2.8946,1.2125,1.2921;-1.7978,-.1079,-2.8869;1.9584,-.0439,-3.4588;-.7706,4.5901,-2.8119;1.4607,3.5602,-1.306;.3159,-2.0875,3.5951;2.3815,-2.3542,-2.1709;-.7766,4.0816,.0444;2.534,-2.3654,2.0805;-.0996,.0084,.0635;.9351,-4.6336,2.4921;2.1262,-.0979,3.5193;.0885,-1.9586,-3.5132;1.4321,3.4791,1.4229;.6716,-4.5788,-2.5076;4.5982,-.6399,-2.5234;-.9311,4.3161,2.8428;4.7325,-.6177,2.5425;-2.0807,.7754,.4232;-1.9054,.0192,-1.9069;/R:/0/N:12,4,21,30,44,14,13,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(7,8)(11,12)(13,14)(15,16)(19,20)/CRV:3.1,4.1,5.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1</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">-14.87051024</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00300689</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">0.00092161</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">0.00300689</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00092161</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02034812</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">
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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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                     <molecule id="geometry.cycle">
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                                 z3="-1.303601"/>
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                                 y3="-2.086265"
                                 z3="3.595956"/>
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                                 y3="-2.350049"
                                 z3="-2.171486"/>
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                                 id="a34"
                                 x3="-0.773268"
                                 y3="4.080779"
                                 z3="0.045921"/>
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                                 id="a35"
                                 x3="2.537043"
                                 y3="-2.362562"
                                 z3="2.080769"/>
                           <atom elementType="Si"
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                                 x3="-0.100567"
                                 y3="0.008239"
                                 z3="0.062904"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.932757"
                                 y3="-4.630087"
                                 z3="2.489557"/>
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                                 id="a38"
                                 x3="2.122489"
                                 y3="-0.094392"
                                 z3="3.516613"/>
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                                 id="a39"
                                 x3="0.088546"
                                 y3="-1.960407"
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                                 id="a40"
                                 x3="1.435373"
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                                 z3="0.421693"/>
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                        <bondArray>
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                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
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                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
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                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">70</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">70</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-14.87057841</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00293497</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">0.00081721</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">0.00293497</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00081721</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01314316</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">0.00232139</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="0.365567"
                                 y3="-2.967334"
                                 z3="-1.834459"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.24215"
                                 y3="0.230765"
                                 z3="-5.234399"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.577953"
                                 y3="3.01173"
                                 z3="1.694859"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.0595"
                                 y3="-0.582709"
                                 z3="2.009265"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.06229"
                                 y3="-0.015706"
                                 z3="-3.522184"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.401192"
                                 y3="2.628148"
                                 z3="0.024268"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.071343"
                                 y3="-0.158749"
                                 z3="3.61503"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.91021"
                                 y3="3.548033"
                                 z3="0.045443"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.024663"
                                 y3="0.125179"
                                 z3="5.362327"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.46947"
                                 y3="-3.027169"
                                 z3="1.88218"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.998808"
                                 y3="-0.616298"
                                 z3="-1.795345"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.594699"
                                 y3="3.225934"
                                 z3="-1.704688"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.540633"
                                 y3="-0.687148"
                                 z3="-1.291926"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.77333"
                                 y3="-0.068684"
                                 z3="-0.048722"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.249883"
                                 y3="1.628976"
                                 z3="0.068505"/>
                           <atom elementType="O"
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                                 x3="0.46465"
                                 y3="-0.739942"
                                 z3="1.423457"/>
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                                 x3="-1.270868"
                                 y3="-3.19215"
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                                 x3="0.074974"
                                 y3="1.810383"
                                 z3="-2.891472"/>
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                                 x3="-1.807787"
                                 y3="-0.341001"
                                 z3="3.354942"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.814287"
                                 y3="1.252075"
                                 z3="-1.316332"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.213641"
                                 y3="2.525718"
                                 z3="-1.63806"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.366805"
                                 y3="-0.988734"
                                 z3="-0.019546"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.154802"
                                 y3="2.189376"
                                 z3="1.453833"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.930432"
                                 y3="-3.218051"
                                 z3="0.002455"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.058192"
                                 y3="1.651208"
                                 z3="2.950303"/>
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                                 id="a26"
                                 x3="-1.362437"
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                                 y3="-0.115823"
                                 z3="-2.88752"/>
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                                 y3="-0.04205"
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                                 id="a30"
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                                 id="a31"
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                                 id="a32"
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                                 y3="-2.084415"
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                                 y3="-2.348514"
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                                 x3="-0.771484"
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                                 x3="2.537035"
                                 y3="-2.361486"
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                           <atom elementType="Si"
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                                 x3="-0.101265"
                                 y3="0.00953"
                                 z3="0.062878"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.930879"
                                 y3="-4.628315"
                                 z3="2.486216"/>
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                                 id="a38"
                                 x3="2.123136"
                                 y3="-0.093105"
                                 z3="3.515636"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.092834"
                                 y3="-1.96292"
                                 z3="-3.520993"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.438261"
                                 y3="3.47414"
                                 z3="1.430363"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.66958"
                                 y3="-4.578348"
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                           <atom elementType="O"
                                 id="a42"
                                 x3="4.603909"
                                 y3="-0.63493"
                                 z3="-2.524362"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.929816"
                                 y3="4.313636"
                                 z3="2.843116"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.733095"
                                 y3="-0.618088"
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                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.090372"
                                 y3="0.760852"
                                 z3="0.422896"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.907929"
                                 y3="-0.014268"
                                 z3="-1.90402"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
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                        </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">-14.87063003</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00242522</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">0.00064616</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">0.00242522</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00064616</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00985273</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">0.00200861</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="0.364859"
                                 y3="-2.968707"
                                 z3="-1.836953"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.245164"
                                 y3="0.228367"
                                 z3="-5.233363"/>
                           <atom elementType="W"
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                                 x3="-0.578561"
                                 y3="3.011001"
                                 z3="1.695158"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.060859"
                                 y3="-0.582497"
                                 z3="2.009525"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.061556"
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                                 z3="-3.521811"/>
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                                 z3="0.025258"/>
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                                 x3="-0.071127"
                                 y3="-0.157725"
                                 z3="3.615782"/>
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                                 x3="3.911561"
                                 y3="3.547455"
                                 z3="0.046383"/>
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                                 id="a9"
                                 x3="0.02888"
                                 y3="0.127449"
                                 z3="5.362751"/>
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                                 x3="0.469365"
                                 y3="-3.024691"
                                 z3="1.87963"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.999373"
                                 y3="-0.615361"
                                 z3="-1.794382"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.594771"
                                 y3="3.22513"
                                 z3="-1.703879"/>
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                                 id="a13"
                                 x3="0.538748"
                                 y3="-0.689307"
                                 z3="-1.290915"/>
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                                 y3="-0.068268"
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                                 y3="1.629631"
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                                 y3="-0.737487"
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                                 id="a30"
                                 x3="-0.761402"
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                                 x3="1.468982"
                                 y3="3.565394"
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                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
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                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
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                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
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                           <bond atomRefs2="a6 a27" order="S"/>
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                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
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                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
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                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
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                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
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                  <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">-14.87067673</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00185123</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">0.00048443</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">0.00185123</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00048443</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00798180</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">
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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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                                 y3="4.309829"
                                 z3="2.84559"/>
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                                 id="a44"
                                 x3="4.735458"
                                 y3="-0.623481"
                                 z3="2.553092"/>
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                                 id="a45"
                                 x3="-2.095964"
                                 y3="0.758924"
                                 z3="0.41586"/>
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                                 id="a46"
                                 x3="-1.907455"
                                 y3="-0.032102"
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                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;14,13,15,16,36;28;2;8;9;17;18;19;20;21;22;23;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OOO1O1OO1OO1OO1OOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14;s28;/rC:.3638,-2.9691,-1.8388;-.2469,.2278,-5.2327;-.5797,3.0107,1.6953;3.0629,-.5827,2.01;.061,-.018,-3.5216;2.4023,2.6293,.0265;-.0702,-.1565,3.6168;3.9123,3.5468,.0492;.0332,.1289,5.3634;.4694,-3.0227,1.8777;3,-.6148,-1.7936;-.5955,3.2251,-1.7039;.5367,-.6919,-1.29;-1.7783,-.0685,-.0569;.2478,1.6292,.0663;.4606,-.7365,1.4223;-1.2725,-3.1854,1.6437;.0719,1.8107,-2.8907;-1.8077,-.3309,3.3628;2.8159,1.2511,-1.3132;-2.2178,2.5332,-1.6382;3.374,-.9869,-.0189;-2.1547,2.1867,1.4557;.9258,-3.2139,-.0002;.0608,1.6514,2.9506;-1.3654,-3.0071,-1.4781;2.8972,1.2093,1.2855;-1.7923,-.123,-2.8876;1.9562,-.0394,-3.4582;-.7597,4.591,-2.8024;1.4708,3.5653,-1.3022;.3143,-2.0805,3.5937;2.3848,-2.3478,-2.1682;-.7714,4.0806,.051;2.5332,-2.3601,2.0764;-.1061,.0108,.0614;.9303,-4.6243,2.4812;2.1303,-.0927,3.5168;.1005,-1.966,-3.525;1.4403,3.4731,1.4322;.6719,-4.5818,-2.5047;4.6037,-.6331,-2.5246;-.9338,4.3098,2.8456;4.7355,-.6235,2.5531;-2.096,.7589,.4159;-1.9075,-.0321,-1.9032;/R:/0/N:12,4,21,30,44,14,13,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(7,8)(11,12)(13,14)(15,16)(19,20)/CRV:3.1,4.1,5.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1</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">-14.87071532</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00145074</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">0.00038955</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">0.00145074</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00038955</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00399073</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">0.00111900</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="-2.969207"
                                 z3="-1.839499"/>
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                                 z3="-5.232654"/>
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                                 y3="-0.582453"
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                           <atom elementType="W"
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                                 y3="-3.021972"
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                           <atom elementType="W"
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                                 x3="3.000468"
                                 y3="-0.614803"
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                           <atom elementType="Mo"
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                           <atom elementType="O"
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                                 y3="-0.693904"
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                           <atom elementType="O"
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                                 y3="1.249872"
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                           <atom elementType="O"
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                                 z3="-1.63958"/>
                           <atom elementType="O"
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                                 x3="-2.155736"
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                                 z3="1.456014"/>
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                                 id="a30"
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                                 z3="-2.802794"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.471602"
                                 y3="3.565178"
                                 z3="-1.302074"/>
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                                 id="a32"
                                 x3="0.31348"
                                 y3="-2.079398"
                                 z3="3.59384"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.384963"
                                 y3="-2.347473"
                                 z3="-2.168621"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.770961"
                                 y3="4.079728"
                                 z3="0.051236"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.531282"
                                 y3="-2.359372"
                                 z3="2.076061"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.108032"
                                 y3="0.010416"
                                 z3="0.061021"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.931169"
                                 y3="-4.623001"
                                 z3="2.481626"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.132599"
                                 y3="-0.092591"
                                 z3="3.518034"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.100746"
                                 y3="-1.965434"
                                 z3="-3.525246"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.440523"
                                 y3="3.472964"
                                 z3="1.431626"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.6743"
                                 y3="-4.581817"
                                 z3="-2.504764"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.603633"
                                 y3="-0.632925"
                                 z3="-2.525838"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.93397"
                                 y3="4.310036"
                                 z3="2.845237"/>
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                                 id="a44"
                                 x3="4.736861"
                                 y3="-0.623989"
                                 z3="2.552868"/>
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                                 id="a45"
                                 x3="-2.098749"
                                 y3="0.758099"
                                 z3="0.413729"/>
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                                 id="a46"
                                 x3="-1.906388"
                                 y3="-0.034376"
                                 z3="-1.9023"/>
                        </atomArray>
                        <bondArray>
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                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;14,13,15,16,36;28;2;8;9;17;18;19;20;21;22;23;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OOO1O1OO1OO1OO1OOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14;s28;/rC:.3638,-2.9692,-1.8395;-.2474,.228,-5.2327;-.5808,3.0102,1.6954;3.064,-.5825,2.0104;.0606,-.018,-3.5216;2.4023,2.6294,.0272;-.0699,-.1561,3.6178;3.9128,3.5459,.0515;.036,.1297,5.3642;.4695,-3.022,1.8768;3.0005,-.6148,-1.7934;-.5958,3.2257,-1.7046;.5354,-.6939,-1.2894;-1.7805,-.0691,-.0589;.2468,1.6283,.0667;.4587,-.7366,1.4222;-1.2726,-3.1859,1.6445;.0711,1.8113,-2.8907;-1.8078,-.3289,3.3658;2.8155,1.2499,-1.3121;-2.2196,2.5372,-1.6396;3.377,-.9873,-.0192;-2.1557,2.1864,1.456;.9256,-3.2136,-.0008;.0612,1.6517,2.9497;-1.3659,-3.0099,-1.4806;2.8979,1.2083,1.2865;-1.7923,-.1231,-2.8872;1.9556,-.0386,-3.4581;-.7573,4.5922,-2.8028;1.4716,3.5652,-1.3021;.3135,-2.0794,3.5938;2.385,-2.3475,-2.1686;-.771,4.0797,.0512;2.5313,-2.3594,2.0761;-.108,.0104,.061;.9312,-4.623,2.4816;2.1326,-.0926,3.518;.1007,-1.9654,-3.5252;1.4405,3.473,1.4316;.6743,-4.5818,-2.5048;4.6036,-.6329,-2.5258;-.934,4.31,2.8452;4.7369,-.624,2.5529;-2.0987,.7581,.4137;-1.9064,-.0344,-1.9023;/R:/0/N:12,4,21,30,44,14,13,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(7,8)(11,12)(13,14)(15,16)(19,20)/CRV:3.1,4.1,5.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1</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">-14.87074189</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00102392</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">0.00033572</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">0.00102392</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00033572</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00302068</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">0.00095068</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="0.364323"
                                 y3="-2.968904"
                                 z3="-1.83955"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-0.247228"
                                 y3="0.228947"
                                 z3="-5.232768"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="-0.581492"
                                 y3="3.009828"
                                 z3="1.695692"/>
                           <atom elementType="Mo"
                                 id="a4"
                                 x3="3.064245"
                                 y3="-0.581612"
                                 z3="2.010787"/>
                           <atom elementType="W"
                                 id="a5"
                                 x3="0.060489"
                                 y3="-0.017812"
                                 z3="-3.52156"/>
                           <atom elementType="W"
                                 id="a6"
                                 x3="2.402269"
                                 y3="2.629908"
                                 z3="0.027073"/>
                           <atom elementType="W"
                                 id="a7"
                                 x3="-0.070395"
                                 y3="-0.156058"
                                 z3="3.618506"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="3.913389"
                                 y3="3.545391"
                                 z3="0.052951"/>
                           <atom elementType="O"
                                 id="a9"
                                 x3="0.036576"
                                 y3="0.130157"
                                 z3="5.364758"/>
                           <atom elementType="W"
                                 id="a10"
                                 x3="0.470014"
                                 y3="-3.022211"
                                 z3="1.876589"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="3.001247"
                                 y3="-0.615081"
                                 z3="-1.793446"/>
                           <atom elementType="Mo"
                                 id="a12"
                                 x3="-0.596088"
                                 y3="3.226054"
                                 z3="-1.705465"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.534694"
                                 y3="-0.695108"
                                 z3="-1.289139"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.781811"
                                 y3="-0.070088"
                                 z3="-0.059803"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.245816"
                                 y3="1.627332"
                                 z3="0.067309"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="0.456664"
                                 y3="-0.737311"
                                 z3="1.422395"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-1.272192"
                                 y3="-3.187961"
                                 z3="1.645264"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="0.070636"
                                 y3="1.811938"
                                 z3="-2.890808"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.808577"
                                 y3="-0.327954"
                                 z3="3.367372"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.815185"
                                 y3="1.248899"
                                 z3="-1.311483"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-2.22092"
                                 y3="2.540216"
                                 z3="-1.640397"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="3.379776"
                                 y3="-0.988281"
                                 z3="-0.019821"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-2.157031"
                                 y3="2.187068"
                                 z3="1.456421"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="0.926079"
                                 y3="-3.214287"
                                 z3="-0.001082"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="0.06152"
                                 y3="1.651711"
                                 z3="2.948438"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.365514"
                                 y3="-3.012609"
                                 z3="-1.481469"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="2.898346"
                                 y3="1.207584"
                                 z3="1.287069"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.79258"
                                 y3="-0.121794"
                                 z3="-2.886294"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="1.954962"
                                 y3="-0.037995"
                                 z3="-3.457585"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="-0.755572"
                                 y3="4.592891"
                                 z3="-2.803506"/>
                           <atom elementType="O"
                                 id="a31"
                                 x3="1.472236"
                                 y3="3.56487"
                                 z3="-1.302529"/>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.312155"
                                 y3="-2.078741"
                                 z3="3.594487"/>
                           <atom elementType="O"
                                 id="a33"
                                 x3="2.38488"
                                 y3="-2.346914"
                                 z3="-2.169467"/>
                           <atom elementType="O"
                                 id="a34"
                                 x3="-0.769814"
                                 y3="4.078929"
                                 z3="0.051204"/>
                           <atom elementType="O"
                                 id="a35"
                                 x3="2.529003"
                                 y3="-2.358342"
                                 z3="2.076153"/>
                           <atom elementType="Si"
                                 id="a36"
                                 x3="-0.109119"
                                 y3="0.009787"
                                 z3="0.06093"/>
                           <atom elementType="O"
                                 id="a37"
                                 x3="0.932672"
                                 y3="-4.622382"
                                 z3="2.483052"/>
                           <atom elementType="O"
                                 id="a38"
                                 x3="2.133407"
                                 y3="-0.092452"
                                 z3="3.519177"/>
                           <atom elementType="O"
                                 id="a39"
                                 x3="0.099555"
                                 y3="-1.964522"
                                 z3="-3.525271"/>
                           <atom elementType="O"
                                 id="a40"
                                 x3="1.44098"
                                 y3="3.47272"
                                 z3="1.430722"/>
                           <atom elementType="O"
                                 id="a41"
                                 x3="0.676973"
                                 y3="-4.58093"
                                 z3="-2.505543"/>
                           <atom elementType="O"
                                 id="a42"
                                 x3="4.603756"
                                 y3="-0.633263"
                                 z3="-2.527775"/>
                           <atom elementType="O"
                                 id="a43"
                                 x3="-0.932764"
                                 y3="4.310905"
                                 z3="2.844854"/>
                           <atom elementType="O"
                                 id="a44"
                                 x3="4.737639"
                                 y3="-0.623879"
                                 z3="2.551862"/>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.100774"
                                 y3="0.756999"
                                 z3="0.412639"/>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-1.905816"
                                 y3="-0.034744"
                                 z3="-1.900942"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a41" order="S"/>
                           <bond atomRefs2="a1 a33" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a39" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a43" order="S"/>
                           <bond atomRefs2="a3 a25" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a34" order="S"/>
                           <bond atomRefs2="a3 a40" order="S"/>
                           <bond atomRefs2="a4 a44" order="S"/>
                           <bond atomRefs2="a4 a27" order="S"/>
                           <bond atomRefs2="a4 a38" order="S"/>
                           <bond atomRefs2="a4 a22" order="S"/>
                           <bond atomRefs2="a4 a35" order="S"/>
                           <bond atomRefs2="a5 a39" order="S"/>
                           <bond atomRefs2="a5 a28" order="S"/>
                           <bond atomRefs2="a5 a18" order="S"/>
                           <bond atomRefs2="a5 a29" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a31" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a40" order="S"/>
                           <bond atomRefs2="a7 a32" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a25" order="S"/>
                           <bond atomRefs2="a7 a38" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a35" order="S"/>
                           <bond atomRefs2="a10 a37" order="S"/>
                           <bond atomRefs2="a10 a17" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a22" order="S"/>
                           <bond atomRefs2="a11 a42" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a30" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a12 a21" order="S"/>
                           <bond atomRefs2="a12 a31" order="S"/>
                           <bond atomRefs2="a13 a36" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a14 a45" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a28 a46" order="S"/>
                        </bondArray>
                        <formula concise="H2Mo2O34SiW7"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">2050.8250999999973</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;14,13,15,16,36;28;2;8;9;17;18;19;20;21;22;23;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OOO1O1OO1OO1OO1OOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14;s28;/rC:.3643,-2.9689,-1.8396;-.2472,.2289,-5.2328;-.5815,3.0098,1.6957;3.0642,-.5816,2.0108;.0605,-.0178,-3.5216;2.4023,2.6299,.0271;-.0704,-.1561,3.6185;3.9134,3.5454,.053;.0366,.1302,5.3648;.47,-3.0222,1.8766;3.0012,-.6151,-1.7934;-.5961,3.2261,-1.7055;.5347,-.6951,-1.2891;-1.7818,-.0701,-.0598;.2458,1.6273,.0673;.4567,-.7373,1.4224;-1.2722,-3.188,1.6453;.0706,1.8119,-2.8908;-1.8086,-.328,3.3674;2.8152,1.2489,-1.3115;-2.2209,2.5402,-1.6404;3.3798,-.9883,-.0198;-2.157,2.1871,1.4564;.9261,-3.2143,-.0011;.0615,1.6517,2.9484;-1.3655,-3.0126,-1.4815;2.8983,1.2076,1.2871;-1.7926,-.1218,-2.8863;1.955,-.038,-3.4576;-.7556,4.5929,-2.8035;1.4722,3.5649,-1.3025;.3122,-2.0787,3.5945;2.3849,-2.3469,-2.1695;-.7698,4.0789,.0512;2.529,-2.3583,2.0762;-.1091,.0098,.0609;.9327,-4.6224,2.4831;2.1334,-.0925,3.5192;.0996,-1.9645,-3.5253;1.441,3.4727,1.4307;.677,-4.5809,-2.5055;4.6038,-.6333,-2.5278;-.9328,4.3109,2.8449;4.7376,-.6239,2.5519;-2.1008,.757,.4126;-1.9058,-.0347,-1.9009;/R:/0/N:12,4,21,30,44,14,13,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(7,8)(11,12)(13,14)(15,16)(19,20)/CRV:3.1,4.1,5.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1</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>
                        <scalar dataType="xsd:string" dictRef="x:converged">CONVERGED</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-14.87076890</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00087205</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">0.00027991</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">0.00087205</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00027991</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00188934</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">0.00070380</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">-8</scalar>
                     </module>
                  </module>
                  <module cmlx:templateRef="adf.frequencyanalysis">
                     <module cmlx:templateRef="masses">
                        <array dataType="xsd:string" dictRef="cc:elementType" size="46">W O W Mo W W W O O W W Mo 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 O O O H H</array>
                        <array dataType="xsd:double" dictRef="cc:atomicmass" size="46">183.95093200 15.99491400 183.95093200 97.90540600 183.95093200 183.95093200 183.95093200 15.99491400 15.99491400 183.95093200 183.95093200 97.90540600 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 15.99491400 15.99491400 15.99491400 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">45040.68</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">1863.63</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">48004.60</scalar>
               </property>
               <property dictRef="cc:zeropoint">
                  <scalar dataType="xsd:double"
                          dictRef="cc:zeropoint"
                          units="nonsi:electronvolt">3.679279</scalar>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:double" dictRef="cc:frequency" size="132">41.194 46.093 50.842 61.366 70.052 72.900 80.452 89.534 93.189 97.617 99.771 102.542 110.162 112.927 115.019 120.436 123.829 127.185 132.855 135.783 138.368 142.741 147.165 148.487 154.421 158.095 167.194 168.149 173.128 175.263 181.153 183.987 185.589 187.223 191.636 192.594 197.634 202.303 203.043 207.123 209.321 214.530 215.114 220.418 224.886 231.650 235.768 238.435 242.723 248.845 251.459 261.063 265.975 271.959 292.351 297.498 303.754 306.397 309.221 315.749 325.594 328.872 330.516 335.077 336.569 342.495 344.365 345.110 348.097 352.764 358.561 362.467 375.839 379.926 386.083 388.429 393.375 407.282 411.744 416.596 420.588 422.332 428.196 441.713 447.952 463.943 467.270 477.129 481.413 492.856 496.484 501.196 527.620 557.086 564.649 572.555 579.341 592.028 597.420 616.920 641.369 662.293 670.260 714.425 732.378 741.684 747.335 761.209 779.363 793.611 801.152 804.701 818.853 824.406 825.379 834.883 839.146 852.528 857.979 872.557 873.641 881.614 892.489 893.246 898.923 904.006 923.752 927.412 1025.605 1178.209 3129.184 3282.573</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="46">W O W Mo W W W O O W W Mo 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 O O O H H</array>
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                  <bond atomRefs2="a3 a43" order="S"/>
                  <bond atomRefs2="a3 a25" order="S"/>
                  <bond atomRefs2="a3 a23" order="S"/>
                  <bond atomRefs2="a3 a34" order="S"/>
                  <bond atomRefs2="a3 a40" order="S"/>
                  <bond atomRefs2="a4 a44" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
                  <bond atomRefs2="a4 a38" order="S"/>
                  <bond atomRefs2="a4 a22" order="S"/>
                  <bond atomRefs2="a4 a35" order="S"/>
                  <bond atomRefs2="a5 a39" order="S"/>
                  <bond atomRefs2="a5 a28" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a29" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a6 a31" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a6 a40" order="S"/>
                  <bond atomRefs2="a7 a32" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a25" order="S"/>
                  <bond atomRefs2="a7 a38" order="S"/>
                  <bond atomRefs2="a10 a32" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a10 a35" order="S"/>
                  <bond atomRefs2="a10 a37" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a22" order="S"/>
                  <bond atomRefs2="a11 a42" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a12 a30" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a34" order="S"/>
                  <bond atomRefs2="a12 a21" order="S"/>
                  <bond atomRefs2="a12 a31" order="S"/>
                  <bond atomRefs2="a13 a36" order="S"/>
                  <bond atomRefs2="a14 a36" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a15 a36" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a28 a46" order="S"/>
               </bondArray>
               <formula concise="H2Mo2O34SiW7"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2050.8250999999973</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2Mo.HO4Si.H2O.29O.7W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;1H;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1/p-1/rH2Mo2O34SiW7/c3-1(4)21-38(9,10)30-41(15,16)31-39(11,12)23-2(5)24-40(13,14,29-39)35-44(19,20,27-1,28-37(6,7)8)36-42(17,22-1,25-2)34-43(18,26-2,32-38)33-41/h6,9H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:4;12;14,13,15,16,36;28;2;8;9;17;18;19;20;21;22;23;24;25;26;27;29;30;31;32;33;34;35;37;38;39;40;41;42;43;44;1;6;7;10;11;3;5/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2.1,3-1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:46nWO1WMoWWWO1O1WWMoO1OOO1O1OO1OO1OO1OOO1OOOO1OOOOOSiO1OOOO1O1O1O1HH/rB:;;;s2;;;s6;s7;;;;;;s3;;s10;s5s12;s7;s6s11;s12;s4s11;s3;s1s10;s3s7;s1;s4s6;s5;s5s11;s12;s6s12;s7s10;s1s11;s3s12;s4s10;s13s14s15s16;s10;s4s7;s1s5;s3s6;s1;s11;s3;s4;s14;s28;/rC:.3643,-2.9689,-1.8396;-.2472,.2289,-5.2328;-.5815,3.0098,1.6957;3.0642,-.5816,2.0108;.0605,-.0178,-3.5216;2.4023,2.6299,.0271;-.0704,-.1561,3.6185;3.9134,3.5454,.053;.0366,.1302,5.3648;.47,-3.0222,1.8766;3.0012,-.6151,-1.7934;-.5961,3.2261,-1.7055;.5347,-.6951,-1.2891;-1.7818,-.0701,-.0598;.2458,1.6273,.0673;.4567,-.7373,1.4224;-1.2722,-3.188,1.6453;.0706,1.8119,-2.8908;-1.8086,-.328,3.3674;2.8152,1.2489,-1.3115;-2.2209,2.5402,-1.6404;3.3798,-.9883,-.0198;-2.157,2.1871,1.4564;.9261,-3.2143,-.0011;.0615,1.6517,2.9484;-1.3655,-3.0126,-1.4815;2.8983,1.2076,1.2871;-1.7926,-.1218,-2.8863;1.955,-.038,-3.4576;-.7556,4.5929,-2.8035;1.4722,3.5649,-1.3025;.3122,-2.0787,3.5945;2.3849,-2.3469,-2.1695;-.7698,4.0789,.0512;2.529,-2.3583,2.0762;-.1091,.0098,.0609;.9327,-4.6224,2.4831;2.1334,-.0925,3.5192;.0996,-1.9645,-3.5253;1.441,3.4727,1.4307;.677,-4.5809,-2.5055;4.6038,-.6333,-2.5278;-.9328,4.3109,2.8449;4.7376,-.6239,2.5519;-2.1008,.757,.4126;-1.9058,-.0347,-1.9009;/R:/0/N:12,4,21,30,44,14,13,16,28,2,17,37,9,19,26,41,8,42,23,43,18,31,35,38,27,22,34,15,32,39,24,29,33,20,25,40,36,5,10,7,1,6,11,3/E:(3,4)(7,8)(11,12)(13,14)(15,16)(19,20)/CRV:3.1,4.1,5.1,7.1,8.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1</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">216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235</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">-5.368 -5.334 -5.298 -5.263 -5.237 -5.199 -5.175 -5.079 -4.825 -4.797 -1.928 -1.842 -1.809 -1.653 -1.478 -1.288 -1.243 -1.206 -1.189 -1.112</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">0.00000000066882</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00038717884426</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00025788507599</scalar>
               </module>
               <module cmlx:templateRef="qtaim" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="atoms">
                     <array dataType="xsd:integer" dictRef="a:id" size="46">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46</array>
                     <array dataType="xsd:integer" dictRef="cc:atomicNumber" size="46">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 8 8 8 42 42 14 1 1</array>
                     <array dataType="xsd:double" dictRef="x:coords" size="138">0.364323 -2.968904 -1.839550 -0.581492 3.009828 1.695692 0.060489 -0.017812 -3.521560 2.402269 2.629908 0.027073 -0.070395 -0.156058 3.618506 0.470014 -3.022210 1.876589 3.001247 -0.615081 -1.793446 -0.247228 0.228947 -5.232768 3.913389 3.545391 0.052951 0.036576 0.130157 5.364758 0.534694 -0.695108 -1.289139 -1.781810 -0.070088 -0.059803 0.245816 1.627332 0.067309 0.456664 -0.737311 1.422395 -1.272192 -3.187961 1.645264 0.070636 1.811938 -2.890808 -1.808576 -0.327954 3.367372 2.815185 1.248899 -1.311483 -2.220920 2.540216 -1.640397 3.379776 -0.988281 -0.019821 -2.157031 2.187067 1.456421 0.926079 -3.214287 -0.001082 0.061520 1.651711 2.948438 -1.365514 -3.012609 -1.481469 2.898346 1.207584 1.287069 -1.792580 -0.121794 -2.886294 1.954962 -0.037995 -3.457585 -0.755572 4.592891 -2.803506 1.472235 3.564870 -1.302529 0.312155 -2.078740 3.594487 2.384880 -2.346914 -2.169466 -0.769814 4.078929 0.051204 2.529003 -2.358342 2.076153 0.932672 -4.622382 2.483052 2.133407 -0.092452 3.519177 0.099555 -1.964522 -3.525271 1.440980 3.472720 1.430722 0.676973 -4.580930 -2.505543 4.603756 -0.633263 -2.527775 -0.932764 4.310905 2.844854 4.737639 -0.623879 2.551862 3.064245 -0.581612 2.010786 -0.596088 3.226054 -1.705465 -0.109119 0.009787 0.060930 -2.100773 0.756999 0.412639 -1.905816 -0.034744 -1.900941</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">0.364323</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.968904</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.839550</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">-0.581492</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.009828</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.695692</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">0.060489</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.017812</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.521560</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">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">2.402269</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.629908</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.027073</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">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">-0.070395</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.156058</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.618506</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">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">0.470014</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.022210</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.876589</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">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">3.001247</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.615081</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.793446</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">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">-0.247228</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.228947</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-5.232768</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192306E+03</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">3.913389</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.545391</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.052951</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191864E+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">0.036576</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.130157</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">5.364758</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191729E+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">0.534694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.695108</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.289139</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3186788E+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">-1.781810</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.070088</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.059803</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3185964E+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">0.245816</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.627332</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.067309</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3186853E+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">0.456664</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.737311</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.422395</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3186844E+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">-1.272192</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.187961</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.645264</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192319E+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">0.070636</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.811938</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.890808</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188967E+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">-1.808576</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.327954</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.367372</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192289E+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">2.815185</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.248899</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.311483</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188627E+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">-2.220920</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.540216</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.640397</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193644E+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">3.379776</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.988281</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.019821</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189549E+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">-2.157031</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.187067</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.456421</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191693E+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">0.926079</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.214287</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.001082</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188163E+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">0.061520</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.651711</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.948438</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188239E+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">-1.365514</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.012609</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.481469</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192377E+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">2.898346</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.207584</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.287069</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189202E+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">-1.792580</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.121794</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.886294</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3186815E+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">1.954962</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.037995</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.457585</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189422E+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">-0.755572</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">4.592891</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.803506</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193058E+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">1.472235</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.564870</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.302529</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190043E+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">0.312155</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.078740</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.594487</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188966E+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">2.384880</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.346914</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.169466</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189712E+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">-0.769814</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">4.078929</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.051204</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189606E+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">2.529003</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.358342</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.076153</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190786E+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">0.932672</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.622382</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.483052</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191738E+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">2.133407</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.092452</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.519177</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191027E+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">0.099555</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.964522</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.525271</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189091E+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">1.440980</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.472720</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.430722</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189571E+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">0.676973</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.580930</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.505543</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191736E+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">4.603756</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.633263</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.527775</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191973E+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">-0.932764</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">4.310905</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.844854</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191851E+03</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">4.737639</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.623879</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.551862</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193006E+03</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">3.064245</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.581612</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.010786</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240651E+06</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">-0.596088</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.226054</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.705465</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240649E+06</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">-0.109119</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.009787</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.060930</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1943365E+04</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">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.100773</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.756999</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.412639</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4334617E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</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">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.905816</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.034744</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.900941</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4421584E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</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">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.979021</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.200090</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.172113</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9613120E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1049488E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1980363E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9107298E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4824700E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3793973E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9484933E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2555615E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7893922E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3623878E+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">0.7571178E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5657422E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1913756E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1509631E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3505348E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2316616E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1486515E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9708887E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4306651E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1558421E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</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">-1.940808</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.003606</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.375770</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6918469E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8876555E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4684092E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8849800E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5048316E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2602540E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6506350E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6615948E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6651185E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1758865E+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">0.5058816E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3611281E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1447534E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9736399E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2303841E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1212333E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5206218E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3230822E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4226159E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2328624E+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">-1.957686</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.283362</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.828977</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8095292E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3987024E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4938202E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2265983E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3243120E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3165075E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7912688E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1652826E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7105860E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4377119E+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">0.6212233E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4511778E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1700455E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1200499E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2824549E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1850315E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1206488E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7489393E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4250231E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1533637E+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">-2.052048</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.780749</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.219411</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6216449E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1030319E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1169647E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6979043E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1027952E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2389776E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5974440E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5230011E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6060287E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1637934E+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">0.4586407E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3198374E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1388033E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8441926E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1996314E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1084440E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4747624E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2861098E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4228757E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2284175E+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">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.089790</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.236774</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.769133</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3865202E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9793766E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1321890E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6289746E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7389828E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1121241E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2803103E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5992100E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2715611E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3367625E-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">0.3137426E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3471748E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3343221E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9651939E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1797941E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9862151E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5501647E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5437148E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5368328E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1792581E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</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">-1.775884</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.335363</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.748789</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3840598E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1041795E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1037510E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7988579E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5027141E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1454917E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3637293E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1860570E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4461075E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1524880E+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">0.2695300E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1753306E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9419938E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4442050E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9736535E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6195421E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3355957E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1733954E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4562250E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1846096E+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">-1.841911</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.962394</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.425773</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6091160E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4255691E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1030099E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3525548E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2149492E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2409246E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6023114E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8705585E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5810749E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1688879E+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">0.4598723E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3174331E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1424391E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8215835E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1941679E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1343440E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9343018E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5314182E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4231304E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1437908E+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">-1.695731</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.009892</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.456949</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6068537E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1270507E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4117949E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1088776E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5090973E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2533984E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6334960E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7584935E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5490551E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3120197E+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">0.4803014E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3271068E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1531946E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8175175E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1931822E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1302601E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7873008E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4535430E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4231847E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1654515E+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">-2.011433</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.398869</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.095458</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7289464E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8062113E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5788028E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4592401E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3225872E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2881905E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7204763E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1183778E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6552789E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2758677E+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">0.5590030E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3975297E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1614733E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1043869E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2467303E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1582039E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9751412E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5902367E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4230808E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1622369E+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">-1.198778</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.098188</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.077007</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6410124E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2050929E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2050862E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9719690E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1343676E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2543215E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6358037E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1037064E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5993413E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1027575E+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">0.4873797E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3389557E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1484240E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8794415E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2080920E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1466815E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1049145E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6041118E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4226216E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1398105E+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">-0.961925</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.096486</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.069222</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6327601E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9561601E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4042035E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2114813E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8403197E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2722398E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6805995E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8274669E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5479320E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2395450E+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">0.5158867E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3511739E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1647128E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8643782E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2044848E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1387736E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8039292E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4705985E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4227103E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1726192E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.325433</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.485570</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.752502</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3644096E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3527246E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1635303E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1487390E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2748622E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1440150E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3600375E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9861826E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4129098E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6336642E+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">0.2648021E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1695668E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9523532E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4141631E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8903766E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5033464E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1476801E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8556044E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4651550E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3408356E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</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">-1.183717</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.338017</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.604080</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1309460E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1668418E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1553204E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2753704E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5434563E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5399917E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1349979E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2129766E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9283527E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1346958E+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">0.1108862E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8677454E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2411169E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2279509E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5103323E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2636761E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5588343E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4384199E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4466714E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4718324E+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">1.482943</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.259398</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.174627</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4974644E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3378138E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1774166E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2735640E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8834155E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2038552E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5096379E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4788889E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4900362E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3353172E+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">0.3813821E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2531263E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1282558E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6271929E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1458218E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1018851E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6531660E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3537280E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4301091E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1559865E+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">-1.000649</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.027078</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.494589</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4344584E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8732835E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3896352E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2320870E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8721051E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1708443E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4271108E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1126485E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4665802E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4313253E+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">0.3179541E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2087974E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1091567E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5235795E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1188175E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5836866E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1036600E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7175557E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4406585E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5630778E+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">0.098163</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.881460</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.581575</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9842870E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2597360E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7635717E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2470313E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2465570E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3946214E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9865535E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1214489E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7894091E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1422403E+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">0.7875014E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5884493E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1990521E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1557928E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3609272E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1845105E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5182747E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3695621E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4316461E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3560090E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.393438</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.313314</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.679682</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1139476E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1152462E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2071103E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1033231E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4665904E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5072563E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1268141E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1024252E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7838406E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5953667E+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">0.1011097E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7540537E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2570435E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1893762E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4317016E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2190550E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1779642E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1696701E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4386738E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1230894E+02</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</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">-1.478419</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.346927</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.372495</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8027576E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2966613E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1931235E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1734723E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2398797E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3628671E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9071679E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1041346E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6111853E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1426413E+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">0.6971865E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4872052E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2099813E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1187128E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2794415E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1706817E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6492738E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4244746E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4248217E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2628809E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.059282</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.138791</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.574725</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4607889E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5678664E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4243688E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7868142E-19</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3772552E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1904696E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4761740E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1540352E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4616265E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3431970E+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">0.3540851E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2319962E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1220889E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5663101E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1300779E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6796800E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1487731E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9722020E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4353624E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4568569E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</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">0.133592</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.978923</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.501974</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8052173E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5757758E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2979438E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3970679E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4158932E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3171151E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7927877E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7788531E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7029397E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1413806E+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">0.6214054E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4500232E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1713822E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1191981E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2805359E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1426310E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4488605E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3014170E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4248942E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3177624E+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">-1.376290</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.452627</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.709269</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6633946E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3888397E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3230075E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2134598E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3601889E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2617263E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6543158E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5256508E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6166693E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1376551E+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">0.5034600E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3526041E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1508559E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9206212E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2178919E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1141921E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4065116E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2564532E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4225128E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2809074E+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">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.136753</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.174139</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.587341</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1375529E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1749960E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3314948E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1678887E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3657996E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5288049E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1322012E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9776601E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4776397E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4256380E-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">0.1933751E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2545489E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6117386E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5244184E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7651544E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5573253E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1394361E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1837618E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6853759E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3996994E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</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">2.140088</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.087574</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.182341</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4983486E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2137371E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4299723E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6843278E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2092557E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2013090E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5032725E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4571929E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4977050E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2641968E+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">0.3772619E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2512513E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1260106E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6286796E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1462022E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9907571E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6169584E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3354129E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4300069E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1605873E+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">0.653883</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.087741</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.858503</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1408525E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2288567E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4734480E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1270942E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2235449E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5805636E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1451409E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1100019E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4525893E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6825142E-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">0.2062426E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2673443E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6110172E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5412581E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7860538E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6149325E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1513717E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2000548E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6885765E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4062400E+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">0.702944</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.112238</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.875552</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1393277E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1295376E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9698188E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3427095E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7874018E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5773072E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1443268E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1079493E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4469598E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5068870E-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">0.2037317E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2631365E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5940486E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5334596E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7763871E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6098522E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1508915E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1990820E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6871052E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4041659E+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">0.295675</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.318062</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.381138</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2840564E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1802233E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1438927E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1005837E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4072139E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1101909E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2754773E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1686767E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1653770E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4338713E+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">0.2595808E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2436844E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1589641E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6401148E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1261665E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7063150E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1818218E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1656046E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5073570E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3884655E+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">0.229499</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.421270</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.722824</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1307568E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5013642E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3036274E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2734764E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4191119E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5037915E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1259479E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8768082E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4607545E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3531631E-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">0.1806837E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2354195E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5473579E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4901596E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7223304E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5245609E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1345448E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1758891E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6785810E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3898784E+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">0.387676</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.505805</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.777669</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1355567E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6111374E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4588957E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3122382E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5233454E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5214426E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1303607E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9481864E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4727245E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4142137E-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">0.1896149E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2488691E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5925424E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5142957E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7525446E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5477316E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1381657E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1817029E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6834090E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3964309E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.812261</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.183446</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.086308</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4268414E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1104624E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2519781E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6593365E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8496922E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1614158E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4035395E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9881254E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4794883E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3524535E+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">0.3012750E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1990106E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1022644E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5113761E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1155668E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5430411E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8752674E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6258131E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4424939E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6204288E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</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">0.443255</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.796517</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.536348</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5415757E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1151132E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1000821E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1106586E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3009257E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2069769E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5174422E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1156811E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2581011E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1122451E-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">0.5675488E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6176555E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5010664E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1513319E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2645946E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1733447E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6075101E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6537056E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5719390E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2853363E+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">0.455750</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.843081</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.620272</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5607962E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4629584E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3613500E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4475427E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1128285E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2145513E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5363782E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1257435E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2638905E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1065817E-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">0.5934940E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6506098E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5711582E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1585350E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2753590E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1812909E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6296080E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6835557E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5757393E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2879426E+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">1.425517</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.605819</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.913338</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7441467E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2197534E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1864536E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1153067E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1519759E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2844700E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7111750E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6663765E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6870804E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1483567E+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">0.5555557E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3999365E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1556193E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1072992E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2534462E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1275660E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4405133E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2866426E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4233609E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2895850E+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">1.083389</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.126663</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.549084</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7424263E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9007336E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8819632E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1136082E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1825726E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2959252E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7398129E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2528570E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3053891E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1050949E-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">0.8697599E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9997069E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1299470E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2304568E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3793314E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2684636E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8612866E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1002174E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6075342E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3117007E+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">1.456708</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.463633</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.307632</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2022003E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9296303E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8100241E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9358147E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4464482E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7393756E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1848439E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7271663E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1398678E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3693809E+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">0.1663188E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1477937E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1852511E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4068437E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8512007E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4353969E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1267304E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1060769E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4779644E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3435616E+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">1.069601</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.032898</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.469175</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1612806E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1334349E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1310421E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4366412E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2477453E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6347432E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1586858E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1400905E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5187827E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5330263E-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">0.2429963E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3273067E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8431047E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6483776E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9169504E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6937515E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1577483E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2119241E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7071021E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4397838E+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">1.450802</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.415125</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.214874</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2412898E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3607804E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9242049E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3432657E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6155995E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8800119E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2200030E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9527071E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1577695E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2560327E+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">0.2045182E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1890335E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1548474E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5149563E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1044960E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5258357E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1201748E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1059097E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4927998E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4375589E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.181038</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.038311</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.713165</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4365868E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3010406E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1305968E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2430174E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1204678E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1810741E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4526853E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1619432E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4438210E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3199872E+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">0.3352754E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2178655E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1174099E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5270024E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1197264E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6658998E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1928063E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1159765E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4401721E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3453724E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</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">1.445371</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.361545</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.159309</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5944865E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1118796E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7637842E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3807347E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8166324E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2442551E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6106379E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7454992E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5503928E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6515456E+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">0.4631070E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3155762E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1475308E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7953794E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1877981E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1275790E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8041169E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4585793E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4235290E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1586573E+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">1.384422</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.699838</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.796182</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8187441E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1273967E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1190267E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1212448E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4539948E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3254850E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8137126E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8130326E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7041455E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1404662E+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">0.6379704E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4622282E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1757422E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1218754E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2865591E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1467834E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4566543E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3083062E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4253063E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3214322E+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">1.386806</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.386931</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.854179</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240949E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2063588E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1531970E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9682142E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9869271E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5784206E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1446051E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1946468E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7924270E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1142448E+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">0.1155016E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8639806E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2910354E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2121894E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4785053E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2735738E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5137505E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4062805E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4434420E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5325032E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.652168</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.548960</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.127816</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3943670E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4703452E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4434257E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1521357E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3811797E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1622053E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4055131E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1139399E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4181985E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3436489E+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">0.2986063E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1916994E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1069069E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4601709E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1017417E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5657838E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1443505E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8809044E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4522931E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3919515E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</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">1.653546</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.267821</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.753122</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2121399E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9982666E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9286555E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2868548E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2277049E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7777721E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1944430E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7890285E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1440339E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3293024E+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">0.1763060E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1581690E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1813701E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4337255E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9000519E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4600402E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1265453E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1074369E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4818894E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3635378E+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">1.547441</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.446979</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.933579</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1177105E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3662354E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2315933E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1242383E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2550643E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5377167E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1344292E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1797957E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7805813E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1201189E+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">0.1071083E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7978736E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2732091E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1977600E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4490101E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2540627E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5388735E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4145133E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4404356E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4714700E+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">3.006041</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.478421</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.007564</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1250384E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4994456E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1089749E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4021060E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2754653E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6160504E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1540126E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2560855E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7534756E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1272684E+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">0.1220159E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9001912E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3199674E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2143431E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4828777E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3047305E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7747463E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5886618E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4438870E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3933294E+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">1.737443</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.649175</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.521767</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3661034E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1093239E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1072626E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3360057E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2086064E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1341710E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3354275E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4236279E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2073135E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6719370E-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">0.3395161E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3436046E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4088555E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8978218E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1689353E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1007857E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3754650E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3641508E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5314590E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2684290E+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">1.704305</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.680264</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.144258</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5976229E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3765670E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2220150E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2165144E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3033863E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2201680E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5504201E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3883054E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6159863E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1446829E+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">0.4234552E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2964904E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1269648E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8009795E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1891629E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9400016E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3478156E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2129011E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4234338E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2702586E+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">2.764139</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.519529</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.035024</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1682327E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8599087E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6881296E-16</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">-0.4260576E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6391606E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1597901E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1477572E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5527395E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4650585E-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">0.2537306E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3476711E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9394050E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6859076E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9620710E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7054094E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1561598E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2106027E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7129490E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4517229E+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">2.654913</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.534739</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.990491</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1705348E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1761922E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6025630E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1309746E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1012843E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6614178E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1653544E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1558778E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5463768E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4798109E-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">0.2608127E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3562709E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9545824E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6984506E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9770747E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7328450E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1617178E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2186305E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7148384E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4531629E+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">0.639672</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.491471</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.041792</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1242692E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1663874E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2870163E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1628681E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1830196E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5678074E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1419518E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1916623E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8091292E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1154447E+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">0.1137775E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8560307E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2817439E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2125868E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4793127E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2687183E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5053884E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3996671E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4435242E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5317065E+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">0.778904</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.548704</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.767634</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2914610E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2406514E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2207464E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1662747E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9438027E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1145151E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2862877E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1818326E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1661057E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4301369E+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">0.2701152E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2539426E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1617253E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6624589E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1299647E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7393425E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1892805E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1734443E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5097224E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3906067E+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">-0.243360</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.278751</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.350937</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1343547E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3366491E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1178663E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2955264E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1100194E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5588258E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1397065E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9991403E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4346018E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7399285E-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">0.1943321E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2489577E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5462565E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5082245E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7449643E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5850228E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1471081E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1929407E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6822132E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3976823E+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">-0.247905</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.471428</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.318340</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1251715E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1495653E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7150313E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3493842E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1266348E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5130158E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1282540E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8333993E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4207182E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6786963E-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">0.1754339E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2226139E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4717997E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4624437E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6873633E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5268537E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1352958E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1750348E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6727791E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3894087E+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">0.534010</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.837163</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.199497</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2225157E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7348250E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4334911E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2953367E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7329505E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8345369E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2086342E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2691350E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6746866E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1851920E-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">0.3736940E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5387538E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1650598E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9958623E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1323885E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9884506E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1881071E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2595527E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7522270E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5254721E+01</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">-0.568691</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.989095</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.647172</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2251219E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2074447E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1098297E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9861158E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1757085E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8765137E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2191284E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2838051E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6549640E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1328347E-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">0.3852877E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5514470E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1661593E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1011445E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1341670E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1039652E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1939539E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2665763E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7538699E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5360305E+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">0.720883</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.883866</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.204548</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2221521E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1617269E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6225245E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1474146E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2343395E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8338821E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2084705E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2684629E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6733785E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1967537E-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">0.3729463E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5374221E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1644758E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9936932E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1321407E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9872967E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1881188E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2595747E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7519962E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5248262E+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">0.342057</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.406888</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.477144</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3038812E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8985698E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2149955E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4505144E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7771758E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1219327E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3048316E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2088844E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1672372E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5109172E+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">0.2881864E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2715412E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1664522E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7003636E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1363644E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7993720E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2072267E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1917106E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5135969E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3857475E+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">2.891476</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.372619</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.525588</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1429239E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6411809E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1552882E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5849271E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2117989E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5963932E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1490983E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1138604E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4514278E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8090216E-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">0.2115774E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2740565E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6247911E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5518970E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7992089E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6327366E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1527855E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2019103E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6905541E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4141338E+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">2.613419</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.885401</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.673703</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1313580E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1140028E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1617088E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9073146E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6710398E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5425051E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1356263E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9414147E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4311583E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1526287E-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">0.1878782E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2401301E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5225191E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4931666E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7261063E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5645439E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1430300E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1868078E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6791935E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3947030E+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">2.656294</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.863523</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.687544</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1318797E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6130738E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2254463E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5644628E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8009544E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5586468E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1396617E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9736895E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4214754E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1119021E-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">0.1912144E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2427671E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5155272E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4957798E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7293849E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5818543E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1470695E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1921922E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6797231E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3956322E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.590308</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.807450</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.221659</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5704668E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1007103E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1422804E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4777266E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9958566E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2309178E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5772945E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2427149E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5435085E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1855526E+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">0.4371571E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2970196E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1401374E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7528218E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1773624E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8662271E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1705391E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1184780E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4244539E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5079347E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</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">-0.174162</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.396813</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.804602</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3399177E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4752259E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3972413E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1102796E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2363841E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1283499E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3208748E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3827204E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1915023E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3308220E-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">0.3163303E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3117858E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4544513E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8132364E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1551286E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9583239E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3804580E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3617155E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5242336E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2518869E+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">-0.158759</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.276145</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.861484</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6217881E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4437904E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3184398E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1905199E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2434094E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2401666E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6004165E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1605734E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2800085E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1509652E-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">0.6804806E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7605447E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8006407E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1819317E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3098378E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2079100E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6961659E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7753835E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5871835E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2986501E+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">-0.305331</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.792968</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.247232</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2473203E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1398672E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1389558E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1581364E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2007333E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9144690E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2286172E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9868397E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1582014E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2328889E+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">0.2126908E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1967643E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1592645E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5321876E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1075232E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5460091E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1174939E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1043433E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4949515E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4647126E+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">0.534438</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.641473</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.776810</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2238230E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1572878E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9092268E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4516590E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1201356E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8182872E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2045718E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7391685E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1496977E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2047308E+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">0.1874211E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1702704E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1715071E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4658627E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9578421E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4715172E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9841445E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8576965E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4863669E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4791138E+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">0.486098</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.387125</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.483123</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8484078E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6973447E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2773118E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5214075E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3708396E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3406053E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8515133E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3423267E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3314130E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1425387E-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">0.1038013E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1224513E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1864998E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2753328E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4416312E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3185381E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9650440E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1156711E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6234451E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3300762E+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">-1.912702</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.472473</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.087732</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7278632E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9030063E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1627605E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8557150E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8840853E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2954174E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7385435E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1058658E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6376661E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4135126E+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">0.5708530E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4031626E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1676905E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1041801E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2462521E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1535471E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8464755E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5175394E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4230627E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1813958E+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">0.484152</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.240683</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.545299</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9978186E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1129870E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1572093E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7559769E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8248576E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3911891E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9779728E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4813800E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3781340E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1922757E-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">0.1268323E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1558674E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2903504E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3418119E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5311840E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3803665E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1079499E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1338932E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6434906E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3523547E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.578345</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.279337</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.023571</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1229844E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8493734E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2282725E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8177911E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2333586E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5530898E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1382724E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1346045E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8163958E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7434908E+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">0.1109958E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8371917E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2727664E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2096613E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4733634E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2471767E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2454836E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2210026E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4429183E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1006897E+02</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</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">1.385008</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.782925</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.921588</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5772579E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5403288E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1373349E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4821268E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2435577E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2415910E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6039776E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5924592E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5298450E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1942820E+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">0.4559875E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3079974E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1479901E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7647948E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1803101E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1165508E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6361431E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3656340E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4241554E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1832148E+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">3.216215</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.123892</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.041138</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2253112E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3109235E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2997223E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8004610E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2079954E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8421240E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2105310E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2756987E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6826662E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3019902E-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">0.3798913E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5492517E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1693603E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1012579E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1342963E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1000674E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1891447E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2611548E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7539884E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5290520E+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">-1.841147</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.035713</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.278525</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3302045E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8361925E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1371341E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1532339E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8248696E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9933269E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2483317E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4334934E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2357722E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5373242E-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">0.2631373E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2779429E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1480561E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7824002E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1500432E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8478992E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4935210E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4654594E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5214500E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1718061E+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">-1.879122</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.053955</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.120918</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192512E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5004399E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2091622E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5312877E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4515181E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1640260E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4100651E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5708703E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6265003E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1898313E-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">0.1547998E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7196647E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5648649E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1611493E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2008995E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1632194E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5717760E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1356148E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8021390E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2854605E+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">-0.469973</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.109135</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.752363</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2260509E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1472678E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7632783E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1089962E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6310057E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8771530E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2192882E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2857849E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6589944E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1090292E-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">0.3870417E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5547952E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1677535E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1017014E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1348019E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1041734E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1942359E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2671663E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7544508E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5363240E+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">1.422236</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.627658</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.005562</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8826227E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1378196E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7686316E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1038717E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4792682E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3531469E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8828673E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3741222E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3414152E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1557517E-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">0.1090952E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1299037E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2080848E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2902364E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4619689E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3336414E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9986926E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1207801E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6282595E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3340781E+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">-0.680792</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.955644</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.290894</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2141928E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1259094E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1146957E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9571012E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8100129E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7793588E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1948397E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2417382E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6779805E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1352167E-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">0.3500557E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5052716E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1552160E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9465093E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1267341E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9150768E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1794224E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2477281E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7468467E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5100126E+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">-0.679829</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.657156</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.771432</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1300551E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1887040E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7386085E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5649337E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1798976E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4910469E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1227617E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8396448E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4684925E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4187029E-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">0.1776961E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2326304E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5493435E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4866556E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7179260E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5094888E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1292704E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1684701E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6778632E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3941264E+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">1.434072</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.428133</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.118788</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5946868E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1265661E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1041332E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9527102E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7130562E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2414051E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6035127E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7956980E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5572037E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5827473E+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">0.4583884E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3132641E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1451243E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7957369E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1878853E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1304140E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8717805E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4943067E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4235228E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1495950E+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">3.865542</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.625208</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.190375</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2280606E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6167641E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5958775E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2946489E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1563962E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8322201E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2080550E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2777242E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7048963E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3484961E-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">0.3831321E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5582091E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1750770E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1029087E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1361768E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9927429E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1875510E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2596384E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7556990E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5293188E+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">0.192191</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.439179</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.474246</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5595057E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6792434E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1316288E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1435658E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6507183E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2133047E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5332617E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1242186E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2644155E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9433631E-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">0.5905123E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6477628E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5725052E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1580487E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2746347E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1799823E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6232899E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6761939E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5754872E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2887618E+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">-1.461475</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.857186</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.666823</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2116067E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9083717E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9008094E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1158199E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1635112E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8175416E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2043854E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2454272E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6333626E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1845677E-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">0.3520070E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4996287E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1476216E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9313030E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1249849E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9540957E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1838210E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2517198E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7451322E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5190353E+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">1.545602</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.657507</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.975695</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8106088E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4843531E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1857838E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4355871E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1017163E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3236390E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8090974E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3091739E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3232743E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1434574E-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">0.9753323E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1141567E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1662349E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2590996E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4192875E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2998482E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9313052E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1105738E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6179522E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3219656E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.294202</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.305016</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.664413</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1227041E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3971541E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1522606E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1260608E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3444659E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5610093E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1402523E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1340079E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8018169E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7587794E+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">0.1122443E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8423633E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2800799E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2090246E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4720667E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2499627E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2385361E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2170149E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4427862E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1047903E+02</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</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">1.410223</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.554778</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.704842</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2578271E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2983763E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1961878E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2229438E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2889314E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1010173E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2525432E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1448357E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1534965E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5592327E+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">0.2329696E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2133960E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1957358E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5625439E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1128203E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6407561E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1844229E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1637498E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4986196E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3474385E+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">1.733797</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.669716</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.713946</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2465282E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4729818E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2379205E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3914676E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1177231E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9345972E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2336493E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1700682E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1539689E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1027630E+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">0.2157241E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1977988E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1792523E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5299161E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1071250E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6346087E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2576951E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2242991E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4946708E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2462634E+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">1.893887</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.118541</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.682104</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1717420E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1127284E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5727927E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5518558E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7988320E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6722861E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1680715E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1601198E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5439011E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4979687E-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">0.2644048E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3607381E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9633331E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7050509E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9849552E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7464800E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1645687E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2228022E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7158203E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4535978E+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">1.877818</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.067919</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.773066</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1614083E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3849929E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3308172E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7195037E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3767603E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6202019E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1550505E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1376542E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5316466E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5255777E-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">0.2407537E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3264570E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8570327E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6490618E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9177762E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6785724E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1551405E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2087079E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7072114E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4373921E+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">3.192373</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.803105</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.839105</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1767637E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3773503E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7127498E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7165117E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3635647E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7259029E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1814757E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1777443E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5285142E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3146873E-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">0.2808380E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3802002E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9936225E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7326715E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1017826E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8108712E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1746002E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2366276E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7198394E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4644159E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">134</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">3.217508</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.784043</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.944944</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9015047E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6029862E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4784954E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4408120E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3642682E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3743562E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9358905E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4083321E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3336375E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3791921E-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">0.1144341E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1352791E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2084501E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2985445E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4732371E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3556924E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1059003E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1286978E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6308561E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3358748E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">135</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">-0.942661</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.202201</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.498863</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1157173E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3165113E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2819542E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1035508E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9979200E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4786668E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1196667E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2017757E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8522694E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1571613E+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">0.9677585E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7388499E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2289086E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1933078E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4398348E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2388971E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7258056E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5312264E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4395010E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3291475E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">136</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">-0.910363</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.072157</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.155660</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1385321E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1335465E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9619584E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6395099E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6701725E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5299630E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1324907E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9910439E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4822639E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9820787E-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">0.1948197E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2571486E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6232893E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5294018E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7713492E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5598227E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1400681E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1849141E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6863323E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3996789E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">137</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">-1.007701</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.250118</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.481695</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2264913E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1078042E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5718191E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8878633E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2165558E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8723293E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2180823E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2854022E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6647912E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8764259E-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">0.3870202E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5559582E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1689379E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1019656E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1351030E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1036830E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1935950E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2665305E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7547253E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5355665E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">138</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">-0.797210</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.015593</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.017631</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1332061E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3432172E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3425133E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5024119E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2138845E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6489591E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1622398E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1373957E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3689231E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7462901E-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">0.2079165E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2535933E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4567675E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5024395E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7377292E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7042985E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2181870E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2947721E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6810623E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3227959E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">139</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">0.540465</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.684258</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.055412</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9349475E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9822919E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3145785E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2705401E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9437775E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3848957E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9622393E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1127438E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7428745E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1396800E+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">0.7606300E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5590208E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2016093E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1454682E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3386372E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1785240E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5222448E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3662127E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4295695E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3418398E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">140</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">1.297355</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.091109</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.049341</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4983780E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5587900E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4068424E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1736785E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3414108E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1931971E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4829928E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9605445E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2407376E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1297303E-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">0.5157861E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5485794E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3279328E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1354556E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2405910E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1582673E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5644522E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5943828E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5630118E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2803910E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">141</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">0.082134</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.051031</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.504313</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1420343E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2482031E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2019926E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1298584E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6277368E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5554419E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1388605E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1056899E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4796927E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5235834E-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">0.2035909E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2683213E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6473042E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5473215E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7935558E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5888633E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1433543E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1894521E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6897077E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4107749E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">142</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">-1.425909</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.562484</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.560880</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2106461E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1206421E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4796077E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8273520E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7354713E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8150320E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2037580E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2445525E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6305133E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3106549E-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">0.3499589E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4961597E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1462009E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9256703E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1243361E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9508194E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1848653E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2536032E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7444901E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5143308E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">143</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">0.289142</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.350585</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.359864</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5027443E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1921666E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5197235E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6614163E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1727778E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1908366E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4770914E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9508159E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2472845E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8012077E-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">0.5146898E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5522881E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3759835E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1370402E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2430049E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1562801E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5504033E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5806929E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5639400E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2839375E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">144</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">2.435352</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.310015</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.659987</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1096706E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2242474E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1243661E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6300265E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1756435E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4344550E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1086138E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6054288E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3985524E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1799148E-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">0.1445563E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1804988E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3594254E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3877086E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5914497E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4328706E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1190747E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1506269E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6555225E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3635285E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">145</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">2.556229</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.322309</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.802285</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1756028E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6034174E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5165139E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1647445E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2649248E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6692663E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1673166E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1628956E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5669786E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5277015E-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">0.2696526E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3719886E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1023360E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7262627E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1010214E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7466182E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1617049E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2191291E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7189195E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4617165E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">146</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">0.056269</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.950379</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.170973</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1418673E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3487502E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2811098E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1963016E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6379391E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5919351E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1479838E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1118498E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4492375E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1428740E-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">0.2094556E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2709275E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6147186E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5464637E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7924952E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6267017E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1516193E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2000861E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6895483E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4133391E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">147</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">0.037936</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.677534</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.066854</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1381453E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1157616E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5665791E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1009362E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1588034E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7240581E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1810145E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1596241E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3513446E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3698120E-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">0.2266738E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2723331E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4565930E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5274322E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7689017E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7917704E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2404769E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3271271E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6859552E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3292502E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">148</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">-0.004944</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.800290</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.248233</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1428956E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6638636E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6252008E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2096983E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7658669E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5901216E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1475304E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1134811E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4560751E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4514518E-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">0.2104952E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2734600E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6296478E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5517515E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7990292E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6269504E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1527891E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2022543E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6905273E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4103370E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">149</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">-0.010817</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.002634</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">4.559784</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2221150E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9335312E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6065745E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1257620E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6983780E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8333718E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2083429E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2681399E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6736031E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1874245E-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">0.3727960E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5372491E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1644531E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9934716E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1321154E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9865879E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1879023E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2592296E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7519726E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5250536E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">150</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">0.154533</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.283618</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.496722</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1389482E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4869009E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3254516E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2027443E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3000808E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7296669E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1824167E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1629415E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3520275E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6535493E-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">0.2286373E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2748579E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4622060E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5315232E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7739836E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8000198E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2439181E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3324956E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6867370E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3279870E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">151</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">0.121211</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.300070</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.624418</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1390978E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3036705E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8407538E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1224024E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2648863E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7312076E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1828019E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1622328E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3519164E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2118902E-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">0.2290862E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2753706E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4628434E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5322864E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7749311E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8005141E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2418899E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3294052E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6868822E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3309415E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">152</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">3.956753</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.604592</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.299807</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2151220E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2677845E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2558403E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5209879E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7891230E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7665058E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1916265E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2394093E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6943406E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4226391E-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">0.3495077E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5073889E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1578812E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9519882E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1273635E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9012459E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1767074E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2442233E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7474577E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5100215E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">153</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">2.965685</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.355805</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.614209</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1332135E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1498195E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7325819E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1301991E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1128248E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5556627E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1389157E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9641298E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4309059E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1292238E-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">0.1923764E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2458372E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5346075E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5024770E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7377761E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5782708E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1425692E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1859655E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6810698E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4056072E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">154</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">-2.027761</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.573239</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.306956</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3117330E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7139557E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5755100E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2774613E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3186474E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1569904E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3924760E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5337295E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6290879E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4832260E-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">0.1498525E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6921809E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5423284E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1561093E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1953897E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1546585E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5491243E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1289044E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7989637E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2816457E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">155</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">-0.673778</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.562953</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.815599</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1337504E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3061749E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8182338E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2663072E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3049048E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5214514E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1303629E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9284937E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4622652E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4483700E-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">0.1873456E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2443284E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5698275E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5051790E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7411569E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5454428E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1376690E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1804792E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6816087E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3961988E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">156</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">-0.769753</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.711756</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.313854</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2227210E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4594459E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1630640E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4149133E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1111199E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8498785E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2124696E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2731858E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6635265E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1132786E-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">0.3766118E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5407539E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1641422E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9970875E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1325285E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1006156E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1902535E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2620203E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7523571E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5288499E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">157</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">-0.105633</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.114227</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-4.444623</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2315330E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1516717E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2617371E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2129223E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1478712E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8691966E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2172992E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2932277E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6921231E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4241134E-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">0.3955290E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5737589E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1782299E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1050031E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1385578E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1039723E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1928766E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2663001E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7578292E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5390614E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <list cmlx:templateRef="bondPaths">
                     <array dataType="xsd:integer" dictRef="a:bondPath" size="68">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68</array>
                     <array dataType="xsd:integer" dictRef="a:cp" size="68">76 70 100 120 73 99 157 108 142 97 155 113 156 130 134 153 93 145 152 143 146 136 81 141 116 140 104 105 131 132 149 125 137 148 68 79 77 119 71 74 127 101 91 103 133 144 94 124 107 98 126 121 111 122 150 49 138 154 117 147 151 56 123 53 55 47 51 118</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx1" size="68">1 1 1 1 1 1 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 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 15 16 17 18 19 21 21 23 28</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx2" size="68">13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 21 36 45 46 36 36 26 20 23 23 28 45 46</array>
                     <array dataType="xsd:double" dictRef="a:distance" size="68">2.345662 1.937975 1.767050 2.139712 1.980036 1.771983 1.756079 2.290713 1.793463 1.956353 1.970478 2.091620 1.771092 2.677671 2.094829 1.937140 1.856752 1.838744 1.759204 2.380610 1.935442 1.961692 1.895660 1.947105 1.766993 2.378459 1.967083 1.963845 1.872688 1.898589 1.772783 2.332069 1.764622 1.932466 1.960517 2.206956 2.329643 1.765295 1.941786 1.966273 2.172552 1.772682 2.518852 1.934252 1.851569 2.048683 1.876311 1.762840 2.531292 1.961959 1.764847 1.760504 2.134272 1.960475 1.653498 3.082982 1.678944 1.004496 1.845648 1.656040 1.652832 3.133036 3.216182 3.177811 3.117544 2.970191 1.771367 0.995650</array>
                     <array dataType="xsd:double" dictRef="a:length" size="68">2.346299 1.938321 1.767093 2.140113 1.980539 1.771998 1.756089 2.291282 1.793579 1.956670 1.970903 2.092047 1.771102 2.678119 2.095405 1.937793 1.857332 1.839120 1.759241 2.381496 1.935925 1.963054 1.896156 1.947590 1.767006 2.379194 1.967501 1.964291 1.873016 1.898948 1.772795 2.332750 1.764645 1.932819 1.961032 2.207399 2.330368 1.765326 1.942150 1.966776 2.173055 1.772696 2.519305 1.934675 1.851985 2.049095 1.876747 1.762853 2.531952 1.962417 1.765001 1.760550 2.134974 1.961145 1.653519 3.089380 1.679131 1.004587 1.850209 1.656064 1.652863 3.145823 3.224417 3.195755 3.144840 2.984603 1.777984 0.995721</array>
                     <array dataType="xsd:double" dictRef="a:steps" size="68">27 23 22 25 25 22 21 29 22 23 23 25 23 29 25 23 24 22 21 27 23 24 25 23 22 27 23 23 22 23 23 27 23 23 26 27 27 23 23 25 26 22 29 23 22 25 23 25 29 23 23 23 25 27 22 33 24 17 25 21 21 33 35 35 33 33 25 18</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="46">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="46">W O W Mo W W W O O W W Mo 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 O O O H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="46">2.3427 -0.8497 2.3223 2.1893 2.4088 2.4100 2.3218 -0.8794 -0.8871 2.3330 2.3888 2.1505 -1.1593 -0.8592 -1.1482 -1.1430 -0.8379 -0.9535 -0.8402 -0.9752 -0.7643 -0.9418 -0.8782 -0.9938 -0.9895 -0.8351 -0.9518 -0.8197 -0.9856 -0.8103 -0.9681 -1.0153 -0.9927 -0.9717 -0.9318 2.2051 -0.8863 -0.9161 -0.9990 -0.9943 -0.8871 -0.8729 -0.8809 -0.8166 0.2901 0.2732</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="46">2.1322 1.9547 2.1388 1.9834 2.1167 2.1037 2.1422 1.9491 1.9491 2.1390 2.1091 2.0071 1.8973 1.8652 1.8966 1.8966 1.9542 1.9301 1.9544 1.9285 1.9658 1.9348 1.9522 1.9286 1.9278 1.9553 1.9310 1.8699 1.9373 1.9609 1.9385 1.9365 1.9380 1.9376 1.9445 2.3363 1.9491 1.9467 1.9347 1.9381 1.9492 1.9523 1.9496 1.9609 0.5624 0.5775</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="46">6.1145 4.8627 6.1248 6.1269 6.1074 6.0969 6.1168 4.8994 4.9079 6.1141 6.1050 6.1318 5.2338 4.9602 5.2223 5.2191 4.8523 4.9971 4.8543 5.0180 4.7694 4.9784 4.8948 5.0359 5.0331 4.8483 4.9946 4.9208 5.0179 4.8211 5.0021 5.0476 5.0262 5.0052 4.9610 6.8786 4.9071 4.9419 5.0335 5.0274 4.9078 4.8891 4.9011 4.8271 0.1475 0.1493</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="46">3.3814 0.0323 3.3844 3.7004 3.3375 3.3592 3.3901 0.0309 0.0301 3.3847 3.3674 3.7106 0.0283 0.0338 0.0293 0.0273 0.0314 0.0263 0.0314 0.0287 0.0290 0.0286 0.0312 0.0292 0.0286 0.0315 0.0261 0.0290 0.0305 0.0284 0.0274 0.0312 0.0285 0.0290 0.0263 0.5801 0.0301 0.0275 0.0308 0.0287 0.0302 0.0315 0.0302 0.0286 0.0000 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="46">14.0293 0.0000 14.0297 0.0000 14.0296 14.0302 14.0291 0.0000 0.0000 14.0292 14.0297 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="atomic.charges" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="46">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="46">W O W Mo W W W O O W W Mo 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 O O O H H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="46">2.476363 -0.896588 2.480838 3.150488 2.506886 2.501397 2.473774 -0.936958 -0.944891 2.478546 2.485712 3.135838 -1.050177 -0.575854 -1.084775 -1.073585 -0.903854 -1.109193 -0.903458 -0.998891 -1.040569 -1.068597 -0.861424 -0.998580 -1.000728 -0.897917 -1.123024 -0.657303 -0.990875 -1.096598 -1.081634 -1.003933 -1.008896 -1.117216 -1.136424 1.786971 -0.944337 -1.132683 -0.999798 -1.006555 -0.946855 -0.926773 -0.940319 -1.102431 0.042653 0.042230</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="46">1.933269 -0.799623 1.921020 2.335258 1.954877 1.926632 1.941897 -0.858724 -0.866826 1.944969 1.922119 2.329339 -0.709948 -0.709039 -0.751944 -0.742064 -0.811937 -0.838238 -0.813642 -0.741233 -0.854479 -0.849356 -0.775463 -0.718414 -0.726436 -0.805183 -0.841106 -0.838205 -0.828703 -0.903511 -0.931017 -0.823626 -0.858204 -0.913904 -0.943413 1.390140 -0.868540 -0.939455 -0.820047 -0.858451 -0.872327 -0.846811 -0.859956 -0.907341 0.283499 0.344144</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="46">2.023352 -0.772054 2.007061 2.424926 2.044939 2.034376 2.028829 -0.824418 -0.837316 2.038594 2.028026 2.417611 -0.778826 -0.694222 -0.820571 -0.813905 -0.811702 -0.931748 -0.820825 -0.829066 -0.874918 -0.929088 -0.832984 -0.816992 -0.811138 -0.815641 -0.937496 -0.857025 -0.865552 -0.880048 -0.950831 -0.894359 -0.887103 -0.964354 -0.961307 1.352954 -0.841113 -0.956096 -0.876706 -0.882008 -0.847439 -0.810316 -0.829665 -0.876355 0.351411 0.381110</array>
                  </list>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">-26.37312839 -2.28737686 -4.91246681</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">26.92408446</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">85.99246228 17.61930385 -1.68056330 -47.25035006 2.61965206 -38.74211222</array>
               </module>
               <module cmlx:templateRef="bonding.energy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-308.6397</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">353.9891</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">-12.2413</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-357.9156</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-79.8467</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-404.6542</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:11  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">Apr27-2024 16:09:11  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:12  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">Apr27-2024 16:09:13  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:13  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">Apr27-2024 16:09:13  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Apr27-2024 16:09:14  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">Apr27-2024 16:09:16  Nodes: 1  Procs: 28</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">*** (NO TITLE) ***</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-8</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.24157451</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.57561095</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.68020379</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.75521056</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.77600326</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.79154807</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.79651857</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.80053446</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.80459046</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.81195119</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.81452252</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.82017476</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.82132069</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.82201798</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.82453258</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.82616835</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.82716982</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.82977585</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.83003087</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.83064646</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.83113265</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.83160198</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.83186054</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.83320222</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.83468702</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.83708739</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.83990658</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.84164461</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.84523803</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.84978211</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85109958</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85370804</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85491705</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85554067</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85645749</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85782242</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85811233</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85838130</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85884492</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85901249</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85919838</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85934298</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85944226</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85952419</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85961227</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85975607</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85980633</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85985857</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.86005777</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85985012</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85995824</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.86016773</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.86041365</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.86076980</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.84796907</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.85840088</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.86137066</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.86243390</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.86330119</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.86423722</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-14.86608286</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
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                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
