<?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">Mar03-2024 17:52:47</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">0.35</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.02</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">0.40</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">Mar03-2024 17:52:47  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:47  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">Mar03-2024 17:52:47</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">0.60</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.04</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">0.68</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">Mar03-2024 17:52:47  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:47  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:47  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:48  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">Mar03-2024 17:52:48</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">0.75</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.02</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">0.82</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">Mar03-2024 17:52:47  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:47  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:47  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:48  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">Mar03-2024 17:52:48  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:49  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">Mar03-2024 17:52:50</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
               <parameter dictRef="cc:nodeName">
                  <array dataType="xsd:string" size="24">kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197</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="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">0.44</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.04</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">0.51</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">Mar03-2024 17:52:47  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:47  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:47  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:48  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">Mar03-2024 17:52:48  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:49  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">Mar03-2024 17:52:50  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:50  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">Mar03-2024 17:52:51</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>
            </parameterList>
            <molecule id="coordinates">
               <atomArray>
                  <atom elementType="Mo"
                        id="a1"
                        x3="-0.0249"
                        y3="1.0969"
                        z3="-2.5158"/>
                  <atom elementType="O"
                        id="a2"
                        x3="1.1790"
                        y3="-0.3081"
                        z3="-2.8068"/>
                  <atom elementType="Mo"
                        id="a3"
                        x3="2.3228"
                        y3="-1.0480"
                        z3="-1.2711"/>
                  <atom elementType="O"
                        id="a4"
                        x3="2.4725"
                        y3="-1.3574"
                        z3="0.5886"/>
                  <atom elementType="Mo"
                        id="a5"
                        x3="1.5137"
                        y3="-1.1631"
                        z3="2.3227"/>
                  <atom elementType="O"
                        id="a6"
                        x3="0.0414"
                        y3="-0.4187"
                        z3="3.3421"/>
                  <atom elementType="Mo"
                        id="a7"
                        x3="-1.7036"
                        y3="-0.0024"
                        z3="2.5348"/>
                  <atom elementType="O"
                        id="a8"
                        x3="-2.8944"
                        y3="0.4415"
                        z3="1.0466"/>
                  <atom elementType="Mo"
                        id="a9"
                        x3="-2.4552"
                        y3="1.7839"
                        z3="-0.2805"/>
                  <atom elementType="O"
                        id="a10"
                        x3="-1.1139"
                        y3="2.3992"
                        z3="-1.5306"/>
                  <atom elementType="O"
                        id="a11"
                        x3="1.1190"
                        y3="-2.8716"
                        z3="2.4678"/>
                  <atom elementType="O"
                        id="a12"
                        x3="2.8462"
                        y3="-0.9954"
                        z3="3.4443"/>
                  <atom elementType="O"
                        id="a13"
                        x3="3.6375"
                        y3="0.0869"
                        z3="-1.5491"/>
                  <atom elementType="O"
                        id="a14"
                        x3="2.9661"
                        y3="-2.5067"
                        z3="-1.9941"/>
                  <atom elementType="O"
                        id="a15"
                        x3="1.1571"
                        y3="2.5426"
                        z3="-3.1174"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-0.9900"
                        y3="0.9567"
                        z3="-3.9585"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-2.9680"
                        y3="3.2862"
                        z3="0.4556"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-3.7657"
                        y3="1.4153"
                        z3="-1.3907"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-2.0927"
                        y3="1.3102"
                        z3="3.6366"/>
                  <atom elementType="O"
                        id="a20"
                        x3="-2.6375"
                        y3="-1.3543"
                        z3="3.1394"/>
                  <atom elementType="O"
                        id="a21"
                        x3="-0.6464"
                        y3="1.6470"
                        z3="1.1119"/>
                  <atom elementType="O"
                        id="a22"
                        x3="1.7150"
                        y3="0.9439"
                        z3="1.7800"/>
                  <atom elementType="O"
                        id="a23"
                        x3="1.1303"
                        y3="1.0065"
                        z3="-0.6696"/>
                  <atom elementType="O"
                        id="a24"
                        x3="1.3507"
                        y3="3.2127"
                        z3="0.6584"/>
                  <atom elementType="Si"
                        id="a25"
                        x3="0.8980"
                        y3="1.7624"
                        z3="0.7252"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-1.2743"
                        y3="-0.1520"
                        z3="-1.3281"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-2.0863"
                        y3="-2.4555"
                        z3="-0.5741"/>
                  <atom elementType="Si"
                        id="a28"
                        x3="-0.9145"
                        y3="-1.4973"
                        z3="-0.4913"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-0.5450"
                        y3="-1.0822"
                        z3="0.9933"/>
                  <atom elementType="O"
                        id="a30"
                        x3="0.4000"
                        y3="-2.0774"
                        z3="-1.1023"/>
                  <atom elementType="H"
                        id="a31"
                        x3="0.7844"
                        y3="2.9937"
                        z3="-3.9016"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a16" order="S"/>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a1 a26" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a23" order="S"/>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a30" order="S"/>
                  <bond atomRefs2="a3 a13" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a22" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a29" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a17" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a15 a31" order="S"/>
                  <bond atomRefs2="a21 a25" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
               </bondArray>
               <formula concise="HMo5O23Si2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">903.8572000000007</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:-.0249,1.0969,-2.5158;1.179,-.3081,-2.8068;2.3228,-1.048,-1.2711;2.4725,-1.3574,.5886;1.5137,-1.1631,2.3227;.0414,-.4187,3.3421;-1.7036,-.0024,2.5348;-2.8944,.4415,1.0466;-2.4552,1.7839,-.2805;-1.1139,2.3992,-1.5306;1.119,-2.8716,2.4678;2.8462,-.9954,3.4443;3.6375,.0869,-1.5491;2.9661,-2.5067,-1.9941;1.1571,2.5426,-3.1174;-.99,.9567,-3.9585;-2.968,3.2862,.4556;-3.7657,1.4153,-1.3907;-2.0927,1.3102,3.6366;-2.6375,-1.3543,3.1394;-.6464,1.647,1.1119;1.715,.9439,1.78;1.1303,1.0065,-.6696;1.3507,3.2127,.6584;.898,1.7624,.7252;-1.2743,-.152,-1.3281;-2.0863,-2.4555,-.5741;-.9145,-1.4973,-.4913;-.545,-1.0822,.9933;.4,-2.0774,-1.1023;.7844,2.9937,-3.9016;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="3416" startLine="3414">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="3420" startLine="3418">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="3429" startLine="3422">
                     <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="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">Mar03-2024 17:52:49</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="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">Mar03-2024 17:52:50</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="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">Mar03-2024 17:52:48</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">Mar03-2024 17:52:47</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">-9.71843966</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.17384472</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">0.05338996</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">0.17384472</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05338996</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.13245410</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">0.03051721</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="Mo"
                                 id="a1"
                                 x3="-0.032021"
                                 y3="1.089472"
                                 z3="-2.517764"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.181167"
                                 y3="-0.316838"
                                 z3="-2.830255"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.323552"
                                 y3="-1.051733"
                                 z3="-1.281325"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.471581"
                                 y3="-1.358692"
                                 z3="0.590146"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.513471"
                                 y3="-1.159492"
                                 z3="2.337744"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.038999"
                                 y3="-0.415004"
                                 z3="3.372595"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.703164"
                                 y3="0.004365"
                                 z3="2.541646"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.906942"
                                 y3="0.441398"
                                 z3="1.052237"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.456823"
                                 y3="1.784806"
                                 z3="-0.2787"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.121501"
                                 y3="2.410066"
                                 z3="-1.533682"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.109466"
                                 y3="-2.883913"
                                 z3="2.476439"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.867957"
                                 y3="-1.01475"
                                 z3="3.464632"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.64783"
                                 y3="0.098783"
                                 z3="-1.558976"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="2.99768"
                                 y3="-2.518872"
                                 z3="-2.003714"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.157735"
                                 y3="2.5484"
                                 z3="-3.132417"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.989605"
                                 y3="0.978112"
                                 z3="-3.998364"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.989124"
                                 y3="3.292985"
                                 z3="0.468212"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.780448"
                                 y3="1.414338"
                                 z3="-1.399284"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.100785"
                                 y3="1.324813"
                                 z3="3.658143"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.6475"
                                 y3="-1.357853"
                                 z3="3.155011"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.686708"
                                 y3="1.674399"
                                 z3="1.132162"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.760778"
                                 y3="0.923823"
                                 z3="1.840625"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.145837"
                                 y3="1.006483"
                                 z3="-0.713025"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.433079"
                                 y3="3.345197"
                                 z3="0.693893"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.91884"
                                 y3="1.800259"
                                 z3="0.732246"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.300918"
                                 y3="-0.135783"
                                 z3="-1.366367"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.17249"
                                 y3="-2.584448"
                                 z3="-0.612301"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.942138"
                                 y3="-1.528835"
                                 z3="-0.500253"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.549732"
                                 y3="-1.085018"
                                 z3="1.040338"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.44936"
                                 y3="-2.116528"
                                 z3="-1.140623"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.784258"
                                 y3="2.985485"
                                 z3="-3.923316"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:-.032,1.0895,-2.5178;1.1812,-.3168,-2.8303;2.3236,-1.0517,-1.2813;2.4716,-1.3587,.5901;1.5135,-1.1595,2.3377;.039,-.415,3.3726;-1.7032,.0044,2.5416;-2.9069,.4414,1.0522;-2.4568,1.7848,-.2787;-1.1215,2.4101,-1.5337;1.1095,-2.8839,2.4764;2.868,-1.0148,3.4646;3.6478,.0988,-1.559;2.9977,-2.5189,-2.0037;1.1577,2.5484,-3.1324;-.9896,.9781,-3.9984;-2.9891,3.293,.4682;-3.7804,1.4143,-1.3993;-2.1008,1.3248,3.6581;-2.6475,-1.3579,3.155;-.6867,1.6744,1.1322;1.7608,.9238,1.8406;1.1458,1.0065,-.713;1.4331,3.3452,.6939;.9188,1.8003,.7322;-1.3009,-.1358,-1.3664;-2.1725,-2.5844,-.6123;-.9421,-1.5288,-.5003;-.5497,-1.085,1.0403;.4494,-2.1165,-1.1406;.7843,2.9855,-3.9233;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">-9.77480785</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05685813</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">0.01708896</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">0.05685813</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01708896</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02331936</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">0.00862763</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="Mo"
                                 id="a1"
                                 x3="-0.035112"
                                 y3="1.082462"
                                 z3="-2.511045"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.177105"
                                 y3="-0.324761"
                                 z3="-2.841939"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.312453"
                                 y3="-1.063435"
                                 z3="-1.282195"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.474287"
                                 y3="-1.360244"
                                 z3="0.58959"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.517073"
                                 y3="-1.143658"
                                 z3="2.339066"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.03767"
                                 y3="-0.413334"
                                 z3="3.387267"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.700471"
                                 y3="0.00288"
                                 z3="2.536772"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.914754"
                                 y3="0.438294"
                                 z3="1.049161"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.454097"
                                 y3="1.788308"
                                 z3="-0.276132"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.121002"
                                 y3="2.420572"
                                 z3="-1.529196"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.119366"
                                 y3="-2.872442"
                                 z3="2.481028"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.871507"
                                 y3="-1.014521"
                                 z3="3.470087"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.641532"
                                 y3="0.084888"
                                 z3="-1.568058"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.006549"
                                 y3="-2.522469"
                                 z3="-2.005874"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.155697"
                                 y3="2.554113"
                                 z3="-3.130503"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.973891"
                                 y3="0.998192"
                                 z3="-4.008407"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.998681"
                                 y3="3.292669"
                                 z3="0.47033"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.780163"
                                 y3="1.419876"
                                 z3="-1.397412"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.102859"
                                 y3="1.318147"
                                 z3="3.660838"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.652342"
                                 y3="-1.357029"
                                 z3="3.146513"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.710028"
                                 y3="1.679979"
                                 z3="1.136652"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.764026"
                                 y3="0.914118"
                                 z3="1.846019"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.142969"
                                 y3="0.993505"
                                 z3="-0.733049"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.442422"
                                 y3="3.329893"
                                 z3="0.704231"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.909446"
                                 y3="1.790791"
                                 z3="0.726213"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.308664"
                                 y3="-0.121018"
                                 z3="-1.381498"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.153368"
                                 y3="-2.587408"
                                 z3="-0.611902"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.938249"
                                 y3="-1.518094"
                                 z3="-0.49373"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.544391"
                                 y3="-1.074165"
                                 z3="1.060359"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.460497"
                                 y3="-2.118376"
                                 z3="-1.141374"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.777163"
                                 y3="2.97769"
                                 z3="-3.926113"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:-.0351,1.0825,-2.511;1.1771,-.3248,-2.8419;2.3125,-1.0634,-1.2822;2.4743,-1.3602,.5896;1.5171,-1.1437,2.3391;.0377,-.4133,3.3873;-1.7005,.0029,2.5368;-2.9148,.4383,1.0492;-2.4541,1.7883,-.2761;-1.121,2.4206,-1.5292;1.1194,-2.8724,2.481;2.8715,-1.0145,3.4701;3.6415,.0849,-1.5681;3.0065,-2.5225,-2.0059;1.1557,2.5541,-3.1305;-.9739,.9982,-4.0084;-2.9987,3.2927,.4703;-3.7802,1.4199,-1.3974;-2.1029,1.3181,3.6608;-2.6523,-1.357,3.1465;-.71,1.68,1.1367;1.764,.9141,1.846;1.143,.9935,-.733;1.4424,3.3299,.7042;.9094,1.7908,.7262;-1.3087,-.121,-1.3815;-2.1534,-2.5874,-.6119;-.9382,-1.5181,-.4937;-.5444,-1.0742,1.0604;.4605,-2.1184,-1.1414;.7772,2.9777,-3.9261;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">-9.78123030</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04121119</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">0.01172547</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">0.04121119</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01172547</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01108767</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">0.00549563</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="Mo"
                                 id="a1"
                                 x3="-0.035992"
                                 y3="1.075398"
                                 z3="-2.503127"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.174275"
                                 y3="-0.3307"
                                 z3="-2.84845"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.305674"
                                 y3="-1.070656"
                                 z3="-1.2805"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.478263"
                                 y3="-1.361349"
                                 z3="0.589839"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.519127"
                                 y3="-1.133449"
                                 z3="2.338473"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.037089"
                                 y3="-0.413618"
                                 z3="3.395813"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.696496"
                                 y3="0.000744"
                                 z3="2.530343"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.918274"
                                 y3="0.434868"
                                 z3="1.044839"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.449834"
                                 y3="1.791098"
                                 z3="-0.273995"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.118166"
                                 y3="2.427545"
                                 z3="-1.524063"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.123552"
                                 y3="-2.864765"
                                 z3="2.477301"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.870912"
                                 y3="-1.0137"
                                 z3="3.473813"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.633444"
                                 y3="0.080313"
                                 z3="-1.573411"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.010844"
                                 y3="-2.524006"
                                 z3="-2.005623"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.15305"
                                 y3="2.557911"
                                 z3="-3.123307"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.962816"
                                 y3="1.008541"
                                 z3="-4.009337"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.001861"
                                 y3="3.29348"
                                 z3="0.470572"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.776666"
                                 y3="1.422135"
                                 z3="-1.395174"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.099074"
                                 y3="1.313571"
                                 z3="3.657949"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.655584"
                                 y3="-1.355801"
                                 z3="3.135722"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.720624"
                                 y3="1.68015"
                                 z3="1.135638"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.759446"
                                 y3="0.90463"
                                 z3="1.841766"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.139894"
                                 y3="0.984697"
                                 z3="-0.74102"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.441303"
                                 y3="3.318805"
                                 z3="0.703137"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.902862"
                                 y3="1.785195"
                                 z3="0.720832"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.310569"
                                 y3="-0.113742"
                                 z3="-1.386971"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.143145"
                                 y3="-2.58276"
                                 z3="-0.606002"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.935705"
                                 y3="-1.511393"
                                 z3="-0.488209"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.539156"
                                 y3="-1.065827"
                                 z3="1.068123"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.466416"
                                 y3="-2.111758"
                                 z3="-1.136939"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.769502"
                                 y3="2.969865"
                                 z3="-3.922331"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:-.036,1.0754,-2.5031;1.1743,-.3307,-2.8485;2.3057,-1.0707,-1.2805;2.4783,-1.3613,.5898;1.5191,-1.1334,2.3385;.0371,-.4136,3.3958;-1.6965,.0007,2.5303;-2.9183,.4349,1.0448;-2.4498,1.7911,-.274;-1.1182,2.4275,-1.5241;1.1236,-2.8648,2.4773;2.8709,-1.0137,3.4738;3.6334,.0803,-1.5734;3.0108,-2.524,-2.0056;1.153,2.5579,-3.1233;-.9628,1.0085,-4.0093;-3.0019,3.2935,.4706;-3.7767,1.4221,-1.3952;-2.0991,1.3136,3.6579;-2.6556,-1.3558,3.1357;-.7206,1.6802,1.1356;1.7594,.9046,1.8418;1.1399,.9847,-.741;1.4413,3.3188,.7031;.9029,1.7852,.7208;-1.3106,-.1137,-1.387;-2.1431,-2.5828,-.606;-.9357,-1.5114,-.4882;-.5392,-1.0658,1.0681;.4664,-2.1118,-1.1369;.7695,2.9699,-3.9223;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">4</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">4</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.78410773</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03382719</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">0.00926166</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">0.03382719</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00926166</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04808266</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">0.02309990</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="Mo"
                                 id="a1"
                                 x3="-0.037106"
                                 y3="1.040953"
                                 z3="-2.467381"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.16385"
                                 y3="-0.354987"
                                 z3="-2.875224"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.282122"
                                 y3="-1.097087"
                                 z3="-1.272043"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.499041"
                                 y3="-1.364581"
                                 z3="0.591446"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.524173"
                                 y3="-1.095028"
                                 z3="2.335385"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.034118"
                                 y3="-0.419557"
                                 z3="3.429031"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.676617"
                                 y3="-0.008469"
                                 z3="2.49978"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.926854"
                                 y3="0.419327"
                                 z3="1.02291"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.427499"
                                 y3="1.803226"
                                 z3="-0.26508"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.103149"
                                 y3="2.451614"
                                 z3="-1.499036"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.13359"
                                 y3="-2.836338"
                                 z3="2.444243"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.861672"
                                 y3="-1.01039"
                                 z3="3.491556"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.591742"
                                 y3="0.077356"
                                 z3="-1.594418"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.02795"
                                 y3="-2.530222"
                                 z3="-2.000271"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.136427"
                                 y3="2.574465"
                                 z3="-3.085922"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.9217"
                                 y3="1.043562"
                                 z3="-4.003311"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.009056"
                                 y3="3.300421"
                                 z3="0.469099"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.755921"
                                 y3="1.425499"
                                 z3="-1.386704"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.071753"
                                 y3="1.300801"
                                 z3="3.637727"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.671777"
                                 y3="-1.345871"
                                 z3="3.08764"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.753026"
                                 y3="1.67345"
                                 z3="1.123425"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.728257"
                                 y3="0.860039"
                                 z3="1.815448"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.128469"
                                 y3="0.952015"
                                 z3="-0.763714"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.432748"
                                 y3="3.278309"
                                 z3="0.695559"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.879492"
                                 y3="1.768415"
                                 z3="0.698507"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.312284"
                                 y3="-0.091731"
                                 z3="-1.400916"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.11122"
                                 y3="-2.559795"
                                 z3="-0.573877"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.927818"
                                 y3="-1.489931"
                                 z3="-0.464834"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.516372"
                                 y3="-1.030514"
                                 z3="1.089077"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.48934"
                                 y3="-2.071111"
                                 z3="-1.112842"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.730851"
                                 y3="2.931584"
                                 z3="-3.89956"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:-.0371,1.041,-2.4674;1.1639,-.355,-2.8752;2.2821,-1.0971,-1.272;2.499,-1.3646,.5914;1.5242,-1.095,2.3354;.0341,-.4196,3.429;-1.6766,-.0085,2.4998;-2.9269,.4193,1.0229;-2.4275,1.8032,-.2651;-1.1031,2.4516,-1.499;1.1336,-2.8363,2.4442;2.8617,-1.0104,3.4916;3.5917,.0774,-1.5944;3.028,-2.5302,-2.0003;1.1364,2.5745,-3.0859;-.9217,1.0436,-4.0033;-3.0091,3.3004,.4691;-3.7559,1.4255,-1.3867;-2.0718,1.3008,3.6377;-2.6718,-1.3459,3.0876;-.753,1.6735,1.1234;1.7283,.86,1.8154;1.1285,.952,-.7637;1.4327,3.2783,.6956;.8795,1.7684,.6985;-1.3123,-.0917,-1.4009;-2.1112,-2.5598,-.5739;-.9278,-1.4899,-.4648;-.5164,-1.0305,1.0891;.4893,-2.0711,-1.1128;.7309,2.9316,-3.8996;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">-9.78869360</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01451438</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">0.00423813</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">0.01451438</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00423813</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00939620</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">0.00369854</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="Mo"
                                 id="a1"
                                 x3="-0.035827"
                                 y3="1.039022"
                                 z3="-2.468187"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.166585"
                                 y3="-0.352312"
                                 z3="-2.876992"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.287679"
                                 y3="-1.093823"
                                 z3="-1.273759"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.501767"
                                 y3="-1.36311"
                                 z3="0.590601"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.52177"
                                 y3="-1.099349"
                                 z3="2.336585"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.033823"
                                 y3="-0.421869"
                                 z3="3.42769"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.676731"
                                 y3="-0.006979"
                                 z3="2.501501"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.923717"
                                 y3="0.419803"
                                 z3="1.023815"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.427157"
                                 y3="1.803812"
                                 z3="-0.265185"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.102214"
                                 y3="2.449143"
                                 z3="-1.498568"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.125339"
                                 y3="-2.839455"
                                 z3="2.435839"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.859318"
                                 y3="-1.012928"
                                 z3="3.49301"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.590669"
                                 y3="0.086753"
                                 z3="-1.595419"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.027863"
                                 y3="-2.531089"
                                 z3="-2.000003"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.137476"
                                 y3="2.572046"
                                 z3="-3.085109"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.928549"
                                 y3="1.040196"
                                 z3="-4.000106"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.009825"
                                 y3="3.302154"
                                 z3="0.467446"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.754024"
                                 y3="1.421514"
                                 z3="-1.388072"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.065641"
                                 y3="1.308547"
                                 z3="3.634758"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.67022"
                                 y3="-1.343408"
                                 z3="3.095035"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.74631"
                                 y3="1.670147"
                                 z3="1.120758"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.723302"
                                 y3="0.861881"
                                 z3="1.8140"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.132025"
                                 y3="0.957766"
                                 z3="-0.75799"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.431928"
                                 y3="3.285754"
                                 z3="0.701362"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.882313"
                                 y3="1.774418"
                                 z3="0.700203"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.311274"
                                 y3="-0.097912"
                                 z3="-1.396158"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.116896"
                                 y3="-2.56631"
                                 z3="-0.578444"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.931784"
                                 y3="-1.496407"
                                 z3="-0.465875"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.518399"
                                 y3="-1.033164"
                                 z3="1.08391"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.48646"
                                 y3="-2.06684"
                                 z3="-1.111257"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.731939"
                                 y3="2.927423"
                                 z3="-3.899687"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:-.0358,1.039,-2.4682;1.1666,-.3523,-2.877;2.2877,-1.0938,-1.2738;2.5018,-1.3631,.5906;1.5218,-1.0993,2.3366;.0338,-.4219,3.4277;-1.6767,-.007,2.5015;-2.9237,.4198,1.0238;-2.4272,1.8038,-.2652;-1.1022,2.4491,-1.4986;1.1253,-2.8395,2.4358;2.8593,-1.0129,3.493;3.5907,.0868,-1.5954;3.0279,-2.5311,-2;1.1375,2.572,-3.0851;-.9285,1.0402,-4.0001;-3.0098,3.3022,.4674;-3.754,1.4215,-1.3881;-2.0656,1.3085,3.6348;-2.6702,-1.3434,3.095;-.7463,1.6701,1.1208;1.7233,.8619,1.814;1.132,.9578,-.758;1.4319,3.2858,.7014;.8823,1.7744,.7002;-1.3113,-.0979,-1.3962;-2.1169,-2.5663,-.5784;-.9318,-1.4964,-.4659;-.5184,-1.0332,1.0839;.4865,-2.0668,-1.1113;.7319,2.9274,-3.8997;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">-9.78921446</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01281465</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">0.00287415</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">0.01281465</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00287415</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03406508</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">0.00979033</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="Mo"
                                 id="a1"
                                 x3="-0.033987"
                                 y3="1.021361"
                                 z3="-2.458718"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.168345"
                                 y3="-0.354697"
                                 z3="-2.888872"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.294683"
                                 y3="-1.095593"
                                 z3="-1.274285"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.51835"
                                 y3="-1.357986"
                                 z3="0.588972"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.516048"
                                 y3="-1.097484"
                                 z3="2.33982"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.030727"
                                 y3="-0.432617"
                                 z3="3.435413"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.672374"
                                 y3="-0.005514"
                                 z3="2.496032"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.919477"
                                 y3="0.417756"
                                 z3="1.01985"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.420257"
                                 y3="1.811893"
                                 z3="-0.262205"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.097186"
                                 y3="2.45088"
                                 z3="-1.488046"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.111778"
                                 y3="-2.8366"
                                 z3="2.401774"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.848932"
                                 y3="-1.021851"
                                 z3="3.503057"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.575544"
                                 y3="0.103146"
                                 z3="-1.609321"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.037148"
                                 y3="-2.533438"
                                 z3="-1.99767"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.131337"
                                 y3="2.57106"
                                 z3="-3.072581"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.933826"
                                 y3="1.047979"
                                 z3="-3.988243"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.016339"
                                 y3="3.310245"
                                 z3="0.463588"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.741727"
                                 y3="1.413368"
                                 z3="-1.389025"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.042572"
                                 y3="1.324277"
                                 z3="3.620185"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.676411"
                                 y3="-1.330464"
                                 z3="3.098929"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.74439"
                                 y3="1.66158"
                                 z3="1.109977"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.700874"
                                 y3="0.848773"
                                 z3="1.805519"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.135634"
                                 y3="0.961884"
                                 z3="-0.754093"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.431435"
                                 y3="3.288104"
                                 z3="0.714554"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.880175"
                                 y3="1.780542"
                                 z3="0.697055"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.308466"
                                 y3="-0.104426"
                                 z3="-1.390645"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.113316"
                                 y3="-2.574319"
                                 z3="-0.579939"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.933401"
                                 y3="-1.502212"
                                 z3="-0.460944"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.517353"
                                 y3="-1.025941"
                                 z3="1.080393"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.492469"
                                 y3="-2.045277"
                                 z3="-1.099924"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.719296"
                                 y3="2.900997"
                                 z3="-3.894908"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:-.034,1.0214,-2.4587;1.1683,-.3547,-2.8889;2.2947,-1.0956,-1.2743;2.5183,-1.358,.589;1.516,-1.0975,2.3398;.0307,-.4326,3.4354;-1.6724,-.0055,2.496;-2.9195,.4178,1.0198;-2.4203,1.8119,-.2622;-1.0972,2.4509,-1.488;1.1118,-2.8366,2.4018;2.8489,-1.0219,3.5031;3.5755,.1031,-1.6093;3.0371,-2.5334,-1.9977;1.1313,2.5711,-3.0726;-.9338,1.048,-3.9882;-3.0163,3.3102,.4636;-3.7417,1.4134,-1.389;-2.0426,1.3243,3.6202;-2.6764,-1.3305,3.0989;-.7444,1.6616,1.11;1.7009,.8488,1.8055;1.1356,.9619,-.7541;1.4314,3.2881,.7146;.8802,1.7805,.6971;-1.3085,-.1044,-1.3906;-2.1133,-2.5743,-.5799;-.9334,-1.5022,-.4609;-.5174,-1.0259,1.0804;.4925,-2.0453,-1.0999;.7193,2.901,-3.8949;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">-9.78975370</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00914850</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">0.00240795</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">0.00914850</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00240795</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01941501</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">0.00554714</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="Mo"
                                 id="a1"
                                 x3="-0.034385"
                                 y3="1.013518"
                                 z3="-2.457164"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.168289"
                                 y3="-0.354867"
                                 z3="-2.891887"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.302141"
                                 y3="-1.095265"
                                 z3="-1.273408"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.529794"
                                 y3="-1.351206"
                                 z3="0.588322"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.511065"
                                 y3="-1.099531"
                                 z3="2.343704"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.027021"
                                 y3="-0.441924"
                                 z3="3.437263"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.675204"
                                 y3="-0.002731"
                                 z3="2.496361"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.919217"
                                 y3="0.421141"
                                 z3="1.021683"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.420985"
                                 y3="1.819417"
                                 z3="-0.261228"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.098281"
                                 y3="2.452113"
                                 z3="-1.484456"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.109525"
                                 y3="-2.838694"
                                 z3="2.382359"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.84334"
                                 y3="-1.030401"
                                 z3="3.50797"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.574607"
                                 y3="0.106672"
                                 z3="-1.623265"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.044071"
                                 y3="-2.533707"
                                 z3="-1.996065"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.129905"
                                 y3="2.566277"
                                 z3="-3.071376"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.94303"
                                 y3="1.054613"
                                 z3="-3.981395"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.022809"
                                 y3="3.316851"
                                 z3="0.462699"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.738578"
                                 y3="1.411254"
                                 z3="-1.38986"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.033299"
                                 y3="1.33435"
                                 z3="3.615248"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.682456"
                                 y3="-1.321475"
                                 z3="3.107644"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.745034"
                                 y3="1.66102"
                                 z3="1.105893"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.692534"
                                 y3="0.845408"
                                 z3="1.807094"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.137265"
                                 y3="0.968756"
                                 z3="-0.752585"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.435486"
                                 y3="3.289969"
                                 z3="0.724105"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.879228"
                                 y3="1.783145"
                                 z3="0.697531"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.307547"
                                 y3="-0.109108"
                                 z3="-1.389066"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.105026"
                                 y3="-2.585093"
                                 z3="-0.584719"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.930838"
                                 y3="-1.505568"
                                 z3="-0.461586"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.521402"
                                 y3="-1.024403"
                                 z3="1.078992"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.498733"
                                 y3="-2.041922"
                                 z3="-1.09612"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.716778"
                                 y3="2.886816"
                                 z3="-3.896987"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:-.0344,1.0135,-2.4572;1.1683,-.3549,-2.8919;2.3021,-1.0953,-1.2734;2.5298,-1.3512,.5883;1.5111,-1.0995,2.3437;.027,-.4419,3.4373;-1.6752,-.0027,2.4964;-2.9192,.4211,1.0217;-2.421,1.8194,-.2612;-1.0983,2.4521,-1.4845;1.1095,-2.8387,2.3824;2.8433,-1.0304,3.508;3.5746,.1067,-1.6233;3.0441,-2.5337,-1.9961;1.1299,2.5663,-3.0714;-.943,1.0546,-3.9814;-3.0228,3.3169,.4627;-3.7386,1.4113,-1.3899;-2.0333,1.3343,3.6152;-2.6825,-1.3215,3.1076;-.745,1.661,1.1059;1.6925,.8454,1.8071;1.1373,.9688,-.7526;1.4355,3.29,.7241;.8792,1.7831,.6975;-1.3075,-.1091,-1.3891;-2.105,-2.5851,-.5847;-.9308,-1.5056,-.4616;-.5214,-1.0244,1.079;.4987,-2.0419,-1.0961;.7168,2.8868,-3.897;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">-9.79018229</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00859098</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">0.00231279</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">0.00859098</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00231279</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05648413</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">0.01544266</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="Mo"
                                 id="a1"
                                 x3="-0.03543"
                                 y3="0.991619"
                                 z3="-2.454183"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.165299"
                                 y3="-0.358508"
                                 z3="-2.89758"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.321618"
                                 y3="-1.098692"
                                 z3="-1.266199"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.563834"
                                 y3="-1.326727"
                                 z3="0.587393"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.497152"
                                 y3="-1.101473"
                                 z3="2.355577"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.014664"
                                 y3="-0.472621"
                                 z3="3.443144"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.687199"
                                 y3="0.003709"
                                 z3="2.496327"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.921546"
                                 y3="0.432272"
                                 z3="1.027486"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.423781"
                                 y3="1.844274"
                                 z3="-0.258598"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.103459"
                                 y3="2.45847"
                                 z3="-1.475139"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.121685"
                                 y3="-2.843955"
                                 z3="2.325875"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.827914"
                                 y3="-1.050981"
                                 z3="3.521582"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.572965"
                                 y3="0.108806"
                                 z3="-1.664802"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.063305"
                                 y3="-2.538887"
                                 z3="-1.98581"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.126085"
                                 y3="2.552123"
                                 z3="-3.072346"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.966627"
                                 y3="1.077045"
                                 z3="-3.96282"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.04221"
                                 y3="3.336605"
                                 z3="0.461943"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.731655"
                                 y3="1.408481"
                                 z3="-1.38927"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.009374"
                                 y3="1.35504"
                                 z3="3.606363"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.70417"
                                 y3="-1.297576"
                                 z3="3.128579"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.751219"
                                 y3="1.663865"
                                 z3="1.09647"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.674917"
                                 y3="0.837673"
                                 z3="1.814353"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.140198"
                                 y3="0.987634"
                                 z3="-0.752445"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.445512"
                                 y3="3.290404"
                                 z3="0.748693"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.875293"
                                 y3="1.787085"
                                 z3="0.698541"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.302809"
                                 y3="-0.120551"
                                 z3="-1.389084"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.082709"
                                 y3="-2.605812"
                                 z3="-0.600405"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.92009"
                                 y3="-1.512779"
                                 z3="-0.464097"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.53461"
                                 y3="-1.020377"
                                 z3="1.078134"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.518821"
                                 y3="-2.039987"
                                 z3="-1.086896"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.709317"
                                 y3="2.849245"
                                 z3="-3.905086"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:-.0354,.9916,-2.4542;1.1653,-.3585,-2.8976;2.3216,-1.0987,-1.2662;2.5638,-1.3267,.5874;1.4972,-1.1015,2.3556;.0147,-.4726,3.4431;-1.6872,.0037,2.4963;-2.9215,.4323,1.0275;-2.4238,1.8443,-.2586;-1.1035,2.4585,-1.4751;1.1217,-2.844,2.3259;2.8279,-1.051,3.5216;3.573,.1088,-1.6648;3.0633,-2.5389,-1.9858;1.1261,2.5521,-3.0723;-.9666,1.077,-3.9628;-3.0422,3.3366,.4619;-3.7317,1.4085,-1.3893;-2.0094,1.355,3.6064;-2.7042,-1.2976,3.1286;-.7512,1.6639,1.0965;1.6749,.8377,1.8144;1.1402,.9876,-.7524;1.4455,3.2904,.7487;.8753,1.7871,.6985;-1.3028,-.1206,-1.3891;-2.0827,-2.6058,-.6004;-.9201,-1.5128,-.4641;-.5346,-1.0204,1.0781;.5188,-2.04,-1.0869;.7093,2.8492,-3.9051;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">9</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">9</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.79104532</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01050744</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">0.00253089</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">0.01050744</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00253089</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06175978</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">0.01674191</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="Mo"
                                 id="a1"
                                 x3="-0.034303"
                                 y3="0.968956"
                                 z3="-2.454685"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.159845"
                                 y3="-0.367482"
                                 z3="-2.90254"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.340854"
                                 y3="-1.109073"
                                 z3="-1.25234"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.602042"
                                 y3="-1.293501"
                                 z3="0.586069"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.481325"
                                 y3="-1.099428"
                                 z3="2.368065"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-0.001169"
                                 y3="-0.513127"
                                 z3="3.448474"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.706055"
                                 y3="0.008525"
                                 z3="2.492794"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.928411"
                                 y3="0.448181"
                                 z3="1.034341"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.425385"
                                 y3="1.87677"
                                 z3="-0.256933"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.111925"
                                 y3="2.469289"
                                 z3="-1.468889"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.155703"
                                 y3="-2.848256"
                                 z3="2.264115"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.809309"
                                 y3="-1.065515"
                                 z3="3.536308"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.570136"
                                 y3="0.102645"
                                 z3="-1.707548"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.083124"
                                 y3="-2.553028"
                                 z3="-1.965079"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.122606"
                                 y3="2.539516"
                                 z3="-3.077246"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.984719"
                                 y3="1.101993"
                                 z3="-3.947279"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.05919"
                                 y3="3.362376"
                                 z3="0.462549"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.728895"
                                 y3="1.411029"
                                 z3="-1.381194"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.982672"
                                 y3="1.362935"
                                 z3="3.607777"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.731573"
                                 y3="-1.275748"
                                 z3="3.143004"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.760838"
                                 y3="1.673181"
                                 z3="1.089685"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.661439"
                                 y3="0.831309"
                                 z3="1.822044"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.140661"
                                 y3="1.00547"
                                 z3="-0.756713"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.453475"
                                 y3="3.286831"
                                 z3="0.763368"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.869637"
                                 y3="1.788819"
                                 z3="0.698683"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.294519"
                                 y3="-0.132258"
                                 z3="-1.396557"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.057558"
                                 y3="-2.625657"
                                 z3="-0.611787"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.907882"
                                 y3="-1.519924"
                                 z3="-0.46658"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.551256"
                                 y3="-1.017853"
                                 z3="1.079531"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.540293"
                                 y3="-2.044976"
                                 z3="-1.075285"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.69759"
                                 y3="2.823427"
                                 z3="-3.910449"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:-.0343,.969,-2.4547;1.1598,-.3675,-2.9025;2.3409,-1.1091,-1.2523;2.602,-1.2935,.5861;1.4813,-1.0994,2.3681;-.0012,-.5131,3.4485;-1.7061,.0085,2.4928;-2.9284,.4482,1.0343;-2.4254,1.8768,-.2569;-1.1119,2.4693,-1.4689;1.1557,-2.8483,2.2641;2.8093,-1.0655,3.5363;3.5701,.1026,-1.7075;3.0831,-2.553,-1.9651;1.1226,2.5395,-3.0772;-.9847,1.102,-3.9473;-3.0592,3.3624,.4625;-3.7289,1.411,-1.3812;-1.9827,1.3629,3.6078;-2.7316,-1.2757,3.143;-.7608,1.6732,1.0897;1.6614,.8313,1.822;1.1407,1.0055,-.7567;1.4535,3.2868,.7634;.8696,1.7888,.6987;-1.2945,-.1323,-1.3966;-2.0576,-2.6257,-.6118;-.9079,-1.5199,-.4666;-.5513,-1.0179,1.0795;.5403,-2.045,-1.0753;.6976,2.8234,-3.9104;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">10</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">10</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.79178787</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01016586</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">0.00262702</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">0.01016586</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00262702</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02976622</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">0.01120468</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="Mo"
                                 id="a1"
                                 x3="-0.027994"
                                 y3="0.957605"
                                 z3="-2.464756"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.158247"
                                 y3="-0.378647"
                                 z3="-2.910986"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.352628"
                                 y3="-1.124251"
                                 z3="-1.243073"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.624075"
                                 y3="-1.272783"
                                 z3="0.581025"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.473488"
                                 y3="-1.093891"
                                 z3="2.372816"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-0.00873"
                                 y3="-0.542893"
                                 z3="3.450525"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.723753"
                                 y3="0.008266"
                                 z3="2.486459"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.937619"
                                 y3="0.462832"
                                 z3="1.042302"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.422488"
                                 y3="1.899638"
                                 z3="-0.257798"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.122555"
                                 y3="2.475748"
                                 z3="-1.474926"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.184527"
                                 y3="-2.848347"
                                 z3="2.240679"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.798014"
                                 y3="-1.056534"
                                 z3="3.544143"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.569636"
                                 y3="0.095475"
                                 z3="-1.719178"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.097848"
                                 y3="-2.573618"
                                 z3="-1.944442"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.123559"
                                 y3="2.535957"
                                 z3="-3.085841"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.982624"
                                 y3="1.104993"
                                 z3="-3.952873"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.054252"
                                 y3="3.384465"
                                 z3="0.463524"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.739081"
                                 y3="1.421259"
                                 z3="-1.360205"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.962647"
                                 y3="1.346976"
                                 z3="3.627437"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.748145"
                                 y3="-1.272342"
                                 z3="3.141843"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.765606"
                                 y3="1.684297"
                                 z3="1.091554"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.657922"
                                 y3="0.832681"
                                 z3="1.8229"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.135887"
                                 y3="1.008457"
                                 z3="-0.765075"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.444883"
                                 y3="3.285447"
                                 z3="0.763671"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.864975"
                                 y3="1.788448"
                                 z3="0.696658"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.284717"
                                 y3="-0.142193"
                                 z3="-1.411217"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.05303"
                                 y3="-2.627931"
                                 z3="-0.613547"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.902395"
                                 y3="-1.526418"
                                 z3="-0.467495"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.563093"
                                 y3="-1.021914"
                                 z3="1.083222"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.550247"
                                 y3="-2.05496"
                                 z3="-1.067326"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.684483"
                                 y3="2.839603"
                                 z3="-3.90432"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:-.028,.9576,-2.4648;1.1582,-.3786,-2.911;2.3526,-1.1243,-1.2431;2.6241,-1.2728,.581;1.4735,-1.0939,2.3728;-.0087,-.5429,3.4505;-1.7238,.0083,2.4865;-2.9376,.4628,1.0423;-2.4225,1.8996,-.2578;-1.1226,2.4757,-1.4749;1.1845,-2.8483,2.2407;2.798,-1.0565,3.5441;3.5696,.0955,-1.7192;3.0978,-2.5736,-1.9444;1.1236,2.536,-3.0858;-.9826,1.105,-3.9529;-3.0543,3.3845,.4635;-3.7391,1.4213,-1.3602;-1.9626,1.347,3.6274;-2.7481,-1.2723,3.1418;-.7656,1.6843,1.0916;1.6579,.8327,1.8229;1.1359,1.0085,-.7651;1.4449,3.2854,.7637;.865,1.7884,.6967;-1.2847,-.1422,-1.4112;-2.053,-2.6279,-.6135;-.9024,-1.5264,-.4675;-.5631,-1.0219,1.0832;.5502,-2.055,-1.0673;.6845,2.8396,-3.9043;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">11</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">11</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.79260652</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00875538</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">0.00214176</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">0.00875538</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00214176</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02472066</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">0.01027365</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="Mo"
                                 id="a1"
                                 x3="-0.020207"
                                 y3="0.947195"
                                 z3="-2.474114"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.158393"
                                 y3="-0.38903"
                                 z3="-2.921125"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.363452"
                                 y3="-1.138434"
                                 z3="-1.235892"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.641484"
                                 y3="-1.259181"
                                 z3="0.578788"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.466161"
                                 y3="-1.087049"
                                 z3="2.378155"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-0.013632"
                                 y3="-0.564954"
                                 z3="3.453817"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.740838"
                                 y3="0.005649"
                                 z3="2.47887"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.947588"
                                 y3="0.474422"
                                 z3="1.051302"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.419421"
                                 y3="1.918386"
                                 z3="-0.257498"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.134475"
                                 y3="2.478448"
                                 z3="-1.482057"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.209247"
                                 y3="-2.845236"
                                 z3="2.223016"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.7875"
                                 y3="-1.042967"
                                 z3="3.553109"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.567444"
                                 y3="0.087336"
                                 z3="-1.729897"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.111833"
                                 y3="-2.591997"
                                 z3="-1.926663"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.12568"
                                 y3="2.532951"
                                 z3="-3.089299"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.978755"
                                 y3="1.103246"
                                 z3="-3.959163"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.042476"
                                 y3="3.40617"
                                 z3="0.464344"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.750961"
                                 y3="1.430711"
                                 z3="-1.337583"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.946817"
                                 y3="1.328123"
                                 z3="3.644834"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.761069"
                                 y3="-1.275951"
                                 z3="3.136712"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.768661"
                                 y3="1.692158"
                                 z3="1.092949"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.65343"
                                 y3="0.834244"
                                 z3="1.818289"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.129384"
                                 y3="1.00813"
                                 z3="-0.770834"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.442279"
                                 y3="3.285977"
                                 z3="0.75693"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.861757"
                                 y3="1.790814"
                                 z3="0.692835"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.276784"
                                 y3="-0.152409"
                                 z3="-1.425544"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.052607"
                                 y3="-2.627613"
                                 z3="-0.615744"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.899489"
                                 y3="-1.531357"
                                 z3="-0.468633"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.572081"
                                 y3="-1.02419"
                                 z3="1.085141"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.5577"
                                 y3="-2.058642"
                                 z3="-1.059166"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.671809"
                                 y3="2.860477"
                                 z3="-3.890179"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:-.0202,.9472,-2.4741;1.1584,-.389,-2.9211;2.3635,-1.1384,-1.2359;2.6415,-1.2592,.5788;1.4662,-1.087,2.3782;-.0136,-.565,3.4538;-1.7408,.0056,2.4789;-2.9476,.4744,1.0513;-2.4194,1.9184,-.2575;-1.1345,2.4784,-1.4821;1.2092,-2.8452,2.223;2.7875,-1.043,3.5531;3.5674,.0873,-1.7299;3.1118,-2.592,-1.9267;1.1257,2.533,-3.0893;-.9788,1.1032,-3.9592;-3.0425,3.4062,.4643;-3.751,1.4307,-1.3376;-1.9468,1.3281,3.6448;-2.7611,-1.276,3.1367;-.7687,1.6922,1.0929;1.6534,.8342,1.8183;1.1294,1.0081,-.7708;1.4423,3.286,.7569;.8618,1.7908,.6928;-1.2768,-.1524,-1.4255;-2.0526,-2.6276,-.6157;-.8995,-1.5314,-.4686;-.5721,-1.0242,1.0851;.5577,-2.0586,-1.0592;.6718,2.8605,-3.8902;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">12</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">12</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.79308727</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00971416</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">0.00218061</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">0.00971416</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00218061</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02288691</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">0.00708998</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="Mo"
                                 id="a1"
                                 x3="-0.0133"
                                 y3="0.945622"
                                 z3="-2.47993"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.160691"
                                 y3="-0.393634"
                                 z3="-2.929755"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.365747"
                                 y3="-1.145669"
                                 z3="-1.237432"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.643919"
                                 y3="-1.268551"
                                 z3="0.58166"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.467546"
                                 y3="-1.081518"
                                 z3="2.382387"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-0.008058"
                                 y3="-0.560311"
                                 z3="3.458742"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.746565"
                                 y3="-0.001202"
                                 z3="2.472882"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.953749"
                                 y3="0.475739"
                                 z3="1.058197"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.418306"
                                 y3="1.921064"
                                 z3="-0.255311"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.142638"
                                 y3="2.47418"
                                 z3="-1.49031"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.206232"
                                 y3="-2.839873"
                                 z3="2.235558"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.788775"
                                 y3="-1.025709"
                                 z3="3.558697"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.565004"
                                 y3="0.081217"
                                 z3="-1.732928"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.115494"
                                 y3="-2.600553"
                                 z3="-1.923264"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.129906"
                                 y3="2.533008"
                                 z3="-3.082923"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.97294"
                                 y3="1.097245"
                                 z3="-3.96564"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.024349"
                                 y3="3.416227"
                                 z3="0.46569"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.761658"
                                 y3="1.43737"
                                 z3="-1.323305"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.951143"
                                 y3="1.314513"
                                 z3="3.647908"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.756149"
                                 y3="-1.293315"
                                 z3="3.127003"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.768062"
                                 y3="1.690899"
                                 z3="1.092696"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.650574"
                                 y3="0.836626"
                                 z3="1.808875"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.122516"
                                 y3="1.00129"
                                 z3="-0.77134"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.441241"
                                 y3="3.289155"
                                 z3="0.743639"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.860879"
                                 y3="1.793726"
                                 z3="0.688107"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.277125"
                                 y3="-0.156027"
                                 z3="-1.434378"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.056672"
                                 y3="-2.623212"
                                 z3="-0.614874"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.901448"
                                 y3="-1.528695"
                                 z3="-0.471431"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.569881"
                                 y3="-1.023963"
                                 z3="1.084034"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.556784"
                                 y3="-2.053591"
                                 z3="-1.057952"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.668428"
                                 y3="2.883364"
                                 z3="-3.869603"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:-.0133,.9456,-2.4799;1.1607,-.3936,-2.9298;2.3657,-1.1457,-1.2374;2.6439,-1.2686,.5817;1.4675,-1.0815,2.3824;-.0081,-.5603,3.4587;-1.7466,-.0012,2.4729;-2.9537,.4757,1.0582;-2.4183,1.9211,-.2553;-1.1426,2.4742,-1.4903;1.2062,-2.8399,2.2356;2.7888,-1.0257,3.5587;3.565,.0812,-1.7329;3.1155,-2.6006,-1.9233;1.1299,2.533,-3.0829;-.9729,1.0972,-3.9656;-3.0243,3.4162,.4657;-3.7617,1.4374,-1.3233;-1.9511,1.3145,3.6479;-2.7561,-1.2933,3.127;-.7681,1.6909,1.0927;1.6506,.8366,1.8089;1.1225,1.0013,-.7713;1.4412,3.2892,.7436;.8609,1.7937,.6881;-1.2771,-.156,-1.4344;-2.0567,-2.6232,-.6149;-.9014,-1.5287,-.4714;-.5699,-1.024,1.084;.5568,-2.0536,-1.058;.6684,2.8834,-3.8696;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">13</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">13</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.79330630</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00757569</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">0.00150850</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">0.00757569</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00150850</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02718044</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">0.01028287</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="Mo"
                                 id="a1"
                                 x3="-0.003587"
                                 y3="0.93048"
                                 z3="-2.48567"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.160781"
                                 y3="-0.404572"
                                 z3="-2.942263"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.377147"
                                 y3="-1.15909"
                                 z3="-1.230198"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.664048"
                                 y3="-1.263933"
                                 z3="0.58524"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.460345"
                                 y3="-1.073989"
                                 z3="2.394246"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-0.008403"
                                 y3="-0.570106"
                                 z3="3.465622"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.762469"
                                 y3="-0.008135"
                                 z3="2.460451"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.964749"
                                 y3="0.485033"
                                 z3="1.067912"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.417484"
                                 y3="1.942243"
                                 z3="-0.251556"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.157058"
                                 y3="2.473934"
                                 z3="-1.497363"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.221977"
                                 y3="-2.832231"
                                 z3="2.21875"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.782941"
                                 y3="-1.016414"
                                 z3="3.570144"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.557659"
                                 y3="0.070655"
                                 z3="-1.757206"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.128158"
                                 y3="-2.617436"
                                 z3="-1.906321"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.133034"
                                 y3="2.524702"
                                 z3="-3.075403"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.976479"
                                 y3="1.106919"
                                 z3="-3.9608"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.011525"
                                 y3="3.443408"
                                 z3="0.466126"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.773698"
                                 y3="1.447166"
                                 z3="-1.299396"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.945518"
                                 y3="1.300762"
                                 z3="3.646511"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.7589"
                                 y3="-1.306938"
                                 z3="3.120194"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.772613"
                                 y3="1.692363"
                                 z3="1.085798"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.641298"
                                 y3="0.834504"
                                 z3="1.801204"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.113962"
                                 y3="1.002748"
                                 z3="-0.77361"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.445026"
                                 y3="3.29154"
                                 z3="0.73926"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.857546"
                                 y3="1.798726"
                                 z3="0.682427"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.276283"
                                 y3="-0.166147"
                                 z3="-1.447323"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.047103"
                                 y3="-2.630199"
                                 z3="-0.618201"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.898751"
                                 y3="-1.527426"
                                 z3="-0.47617"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.57422"
                                 y3="-1.018031"
                                 z3="1.080721"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.566703"
                                 y3="-2.04641"
                                 z3="-1.04966"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.659907"
                                 y3="2.891299"
                                 z3="-3.847765"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:-.0036,.9305,-2.4857;1.1608,-.4046,-2.9423;2.3771,-1.1591,-1.2302;2.664,-1.2639,.5852;1.4603,-1.074,2.3942;-.0084,-.5701,3.4656;-1.7625,-.0081,2.4605;-2.9647,.485,1.0679;-2.4175,1.9422,-.2516;-1.1571,2.4739,-1.4974;1.222,-2.8322,2.2188;2.7829,-1.0164,3.5701;3.5577,.0707,-1.7572;3.1282,-2.6174,-1.9063;1.133,2.5247,-3.0754;-.9765,1.1069,-3.9608;-3.0115,3.4434,.4661;-3.7737,1.4472,-1.2994;-1.9455,1.3008,3.6465;-2.7589,-1.3069,3.1202;-.7726,1.6924,1.0858;1.6413,.8345,1.8012;1.114,1.0027,-.7736;1.445,3.2915,.7393;.8575,1.7987,.6824;-1.2763,-.1661,-1.4473;-2.0471,-2.6302,-.6182;-.8988,-1.5274,-.4762;-.5742,-1.018,1.0807;.5667,-2.0464,-1.0497;.6599,2.8913,-3.8478;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">-9.79361809</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00545155</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">0.00135317</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">0.00545155</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00135317</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01303609</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">0.00432374</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="Mo"
                                 id="a1"
                                 x3="0.000885"
                                 y3="0.927944"
                                 z3="-2.488585"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.16162"
                                 y3="-0.407803"
                                 z3="-2.948143"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.377519"
                                 y3="-1.164235"
                                 z3="-1.23038"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.666525"
                                 y3="-1.270278"
                                 z3="0.584939"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.462595"
                                 y3="-1.070944"
                                 z3="2.397934"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="-0.003265"
                                 y3="-0.562852"
                                 z3="3.467826"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.765113"
                                 y3="-0.013126"
                                 z3="2.454866"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.969361"
                                 y3="0.486584"
                                 z3="1.069958"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.418454"
                                 y3="1.947251"
                                 z3="-0.249846"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.16229"
                                 y3="2.472347"
                                 z3="-1.502031"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.214772"
                                 y3="-2.828356"
                                 z3="2.226801"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.790096"
                                 y3="-1.01185"
                                 z3="3.568825"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.555077"
                                 y3="0.069329"
                                 z3="-1.756243"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.129229"
                                 y3="-2.623052"
                                 z3="-1.904022"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.137284"
                                 y3="2.521733"
                                 z3="-3.070098"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.975046"
                                 y3="1.111897"
                                 z3="-3.960561"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.006329"
                                 y3="3.45174"
                                 z3="0.466464"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.781057"
                                 y3="1.452452"
                                 z3="-1.289981"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.951607"
                                 y3="1.294168"
                                 z3="3.642753"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.749848"
                                 y3="-1.319974"
                                 z3="3.116345"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.775192"
                                 y3="1.691247"
                                 z3="1.08208"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.640615"
                                 y3="0.835067"
                                 z3="1.797721"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.10974"
                                 y3="1.000976"
                                 z3="-0.774964"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.440922"
                                 y3="3.291462"
                                 z3="0.736161"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.855041"
                                 y3="1.798221"
                                 z3="0.680263"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.279513"
                                 y3="-0.167688"
                                 z3="-1.451025"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.043753"
                                 y3="-2.632223"
                                 z3="-0.61452"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.899223"
                                 y3="-1.524087"
                                 z3="-0.477878"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.571776"
                                 y3="-1.013099"
                                 z3="1.078714"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.567619"
                                 y3="-2.043916"
                                 z3="-1.0493"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.66398"
                                 y3="2.896489"
                                 z3="-3.838371"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:.0009,.9279,-2.4886;1.1616,-.4078,-2.9481;2.3775,-1.1642,-1.2304;2.6665,-1.2703,.5849;1.4626,-1.0709,2.3979;-.0033,-.5629,3.4678;-1.7651,-.0131,2.4549;-2.9694,.4866,1.07;-2.4185,1.9473,-.2498;-1.1623,2.4723,-1.502;1.2148,-2.8284,2.2268;2.7901,-1.0118,3.5688;3.5551,.0693,-1.7562;3.1292,-2.6231,-1.904;1.1373,2.5217,-3.0701;-.975,1.1119,-3.9606;-3.0063,3.4517,.4665;-3.7811,1.4525,-1.29;-1.9516,1.2942,3.6428;-2.7498,-1.32,3.1163;-.7752,1.6912,1.0821;1.6406,.8351,1.7977;1.1097,1.001,-.775;1.4409,3.2915,.7362;.855,1.7982,.6803;-1.2795,-.1677,-1.451;-2.0438,-2.6322,-.6145;-.8992,-1.5241,-.4779;-.5718,-1.0131,1.0787;.5676,-2.0439,-1.0493;.664,2.8965,-3.8384;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">-9.79371075</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00428306</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">0.00113718</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">0.00428306</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00113718</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01702938</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">0.00595206</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="Mo"
                                 id="a1"
                                 x3="0.006844"
                                 y3="0.921608"
                                 z3="-2.493121"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.161172"
                                 y3="-0.414225"
                                 z3="-2.956552"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.379021"
                                 y3="-1.172282"
                                 z3="-1.227494"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.672802"
                                 y3="-1.271418"
                                 z3="0.582913"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.463888"
                                 y3="-1.066845"
                                 z3="2.405271"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.001176"
                                 y3="-0.556834"
                                 z3="3.470761"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.77148"
                                 y3="-0.020196"
                                 z3="2.44688"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.976811"
                                 y3="0.491302"
                                 z3="1.071186"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.419946"
                                 y3="1.960244"
                                 z3="-0.247049"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.17026"
                                 y3="2.473297"
                                 z3="-1.50668"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.210947"
                                 y3="-2.823239"
                                 z3="2.231258"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.80156"
                                 y3="-1.011144"
                                 z3="3.5641"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.550679"
                                 y3="0.067884"
                                 z3="-1.756179"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.133088"
                                 y3="-2.630576"
                                 z3="-1.899755"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.144556"
                                 y3="2.513902"
                                 z3="-3.06667"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.975421"
                                 y3="1.122658"
                                 z3="-3.95781"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.005039"
                                 y3="3.467273"
                                 z3="0.46737"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.790097"
                                 y3="1.462041"
                                 z3="-1.276117"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.958378"
                                 y3="1.282665"
                                 z3="3.639913"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.739667"
                                 y3="-1.337004"
                                 z3="3.112646"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.781194"
                                 y3="1.692736"
                                 z3="1.077028"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.641337"
                                 y3="0.836091"
                                 z3="1.795972"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.103703"
                                 y3="1.003158"
                                 z3="-0.778501"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.43379"
                                 y3="3.290737"
                                 z3="0.736897"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.850459"
                                 y3="1.797166"
                                 z3="0.679098"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.283168"
                                 y3="-0.170715"
                                 z3="-1.454801"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.036168"
                                 y3="-2.636883"
                                 z3="-0.609847"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.898545"
                                 y3="-1.520808"
                                 z3="-0.479952"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.571647"
                                 y3="-1.005089"
                                 z3="1.076386"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.571149"
                                 y3="-2.044399"
                                 z3="-1.048096"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.673338"
                                 y3="2.894318"
                                 z3="-3.833356"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:.0068,.9216,-2.4931;1.1612,-.4142,-2.9566;2.379,-1.1723,-1.2275;2.6728,-1.2714,.5829;1.4639,-1.0668,2.4053;.0012,-.5568,3.4708;-1.7715,-.0202,2.4469;-2.9768,.4913,1.0712;-2.4199,1.9602,-.247;-1.1703,2.4733,-1.5067;1.2109,-2.8232,2.2313;2.8016,-1.0111,3.5641;3.5507,.0679,-1.7562;3.1331,-2.6306,-1.8998;1.1446,2.5139,-3.0667;-.9754,1.1227,-3.9578;-3.005,3.4673,.4674;-3.7901,1.462,-1.2761;-1.9584,1.2827,3.6399;-2.7397,-1.337,3.1126;-.7812,1.6927,1.077;1.6413,.8361,1.796;1.1037,1.0032,-.7785;1.4338,3.2907,.7369;.8505,1.7972,.6791;-1.2832,-.1707,-1.4548;-2.0362,-2.6369,-.6098;-.8985,-1.5208,-.48;-.5716,-1.0051,1.0764;.5711,-2.0444,-1.0481;.6733,2.8943,-3.8334;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">-9.79384186</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00268443</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">0.00059979</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">0.00268443</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00059979</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00505036</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">0.00176358</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="Mo"
                                 id="a1"
                                 x3="0.007095"
                                 y3="0.922348"
                                 z3="-2.493169"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.160699"
                                 y3="-0.414531"
                                 z3="-2.957017"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.37696"
                                 y3="-1.172243"
                                 z3="-1.227674"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.670492"
                                 y3="-1.272421"
                                 z3="0.582696"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.465642"
                                 y3="-1.066184"
                                 z3="2.406374"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.002542"
                                 y3="-0.552867"
                                 z3="3.471291"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.770637"
                                 y3="-0.022324"
                                 z3="2.44703"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.976553"
                                 y3="0.490506"
                                 z3="1.069732"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.420053"
                                 y3="1.960298"
                                 z3="-0.246182"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.170034"
                                 y3="2.474175"
                                 z3="-1.505872"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.208828"
                                 y3="-2.822226"
                                 z3="2.235733"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.806057"
                                 y3="-1.011126"
                                 z3="3.561535"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.54943"
                                 y3="0.069028"
                                 z3="-1.752347"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.132276"
                                 y3="-2.628798"
                                 z3="-1.902658"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.146083"
                                 y3="2.513365"
                                 z3="-3.067428"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.974855"
                                 y3="1.12239"
                                 z3="-3.958082"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.006516"
                                 y3="3.467039"
                                 z3="0.468369"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.789259"
                                 y3="1.463049"
                                 z3="-1.277157"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.962028"
                                 y3="1.279545"
                                 z3="3.640566"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.737141"
                                 y3="-1.341431"
                                 z3="3.110554"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.781758"
                                 y3="1.693236"
                                 z3="1.077926"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.643343"
                                 y3="0.837197"
                                 z3="1.795719"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.103074"
                                 y3="1.004034"
                                 z3="-0.778808"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.432598"
                                 y3="3.290855"
                                 z3="0.737677"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.850083"
                                 y3="1.797007"
                                 z3="0.679803"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.283348"
                                 y3="-0.169543"
                                 z3="-1.452868"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.038834"
                                 y3="-2.634736"
                                 z3="-0.609639"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.899542"
                                 y3="-1.520616"
                                 z3="-0.47954"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.570792"
                                 y3="-1.004011"
                                 z3="1.076303"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.56945"
                                 y3="-2.046076"
                                 z3="-1.049226"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.678388"
                                 y3="2.890486"
                                 z3="-3.83794"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:.0071,.9223,-2.4932;1.1607,-.4145,-2.957;2.377,-1.1722,-1.2277;2.6705,-1.2724,.5827;1.4656,-1.0662,2.4064;.0025,-.5529,3.4713;-1.7706,-.0223,2.447;-2.9766,.4905,1.0697;-2.4201,1.9603,-.2462;-1.17,2.4742,-1.5059;1.2088,-2.8222,2.2357;2.8061,-1.0111,3.5615;3.5494,.069,-1.7523;3.1323,-2.6288,-1.9027;1.1461,2.5134,-3.0674;-.9749,1.1224,-3.9581;-3.0065,3.467,.4684;-3.7893,1.463,-1.2772;-1.962,1.2795,3.6406;-2.7371,-1.3414,3.1106;-.7818,1.6932,1.0779;1.6433,.8372,1.7957;1.1031,1.004,-.7788;1.4326,3.2909,.7377;.8501,1.797,.6798;-1.2833,-.1695,-1.4529;-2.0388,-2.6347,-.6096;-.8995,-1.5206,-.4795;-.5708,-1.004,1.0763;.5695,-2.0461,-1.0492;.6784,2.8905,-3.8379;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">-9.79384727</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00199643</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">0.00047272</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">0.00199643</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00047272</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00756404</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">0.00220371</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="Mo"
                                 id="a1"
                                 x3="0.008131"
                                 y3="0.921089"
                                 z3="-2.493515"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.159074"
                                 y3="-0.416818"
                                 z3="-2.958486"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.375988"
                                 y3="-1.173306"
                                 z3="-1.226655"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.670335"
                                 y3="-1.271144"
                                 z3="0.582972"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.466592"
                                 y3="-1.064357"
                                 z3="2.408883"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.003247"
                                 y3="-0.55136"
                                 z3="3.472103"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.771598"
                                 y3="-0.026309"
                                 z3="2.445815"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.976305"
                                 y3="0.490707"
                                 z3="1.068926"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.419087"
                                 y3="1.96327"
                                 z3="-0.2445"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.170525"
                                 y3="2.476675"
                                 z3="-1.504054"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.20995"
                                 y3="-2.820207"
                                 z3="2.238923"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.808966"
                                 y3="-1.008751"
                                 z3="3.561185"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.54626"
                                 y3="0.069412"
                                 z3="-1.751441"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.133357"
                                 y3="-2.627847"
                                 z3="-1.904019"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.147093"
                                 y3="2.512396"
                                 z3="-3.068975"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.975051"
                                 y3="1.122228"
                                 z3="-3.957629"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.00634"
                                 y3="3.469766"
                                 z3="0.47059"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.788067"
                                 y3="1.465979"
                                 z3="-1.276274"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.964108"
                                 y3="1.271981"
                                 z3="3.643185"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.737211"
                                 y3="-1.347756"
                                 z3="3.105245"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.782185"
                                 y3="1.695098"
                                 z3="1.07969"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.644258"
                                 y3="0.838262"
                                 z3="1.794363"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.10175"
                                 y3="1.006729"
                                 z3="-0.779623"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.43232"
                                 y3="3.292247"
                                 z3="0.738807"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.849532"
                                 y3="1.798532"
                                 z3="0.680432"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.282013"
                                 y3="-0.169151"
                                 z3="-1.45192"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.042315"
                                 y3="-2.632794"
                                 z3="-0.610442"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.900774"
                                 y3="-1.521687"
                                 z3="-0.4796"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.570938"
                                 y3="-1.003396"
                                 z3="1.075626"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.568139"
                                 y3="-2.047674"
                                 z3="-1.049249"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.683213"
                                 y3="2.88361"
                                 z3="-3.844664"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:.0081,.9211,-2.4935;1.1591,-.4168,-2.9585;2.376,-1.1733,-1.2267;2.6703,-1.2711,.583;1.4666,-1.0644,2.4089;.0032,-.5514,3.4721;-1.7716,-.0263,2.4458;-2.9763,.4907,1.0689;-2.4191,1.9633,-.2445;-1.1705,2.4767,-1.5041;1.21,-2.8202,2.2389;2.809,-1.0088,3.5612;3.5463,.0694,-1.7514;3.1334,-2.6278,-1.904;1.1471,2.5124,-3.069;-.9751,1.1222,-3.9576;-3.0063,3.4698,.4706;-3.7881,1.466,-1.2763;-1.9641,1.272,3.6432;-2.7372,-1.3478,3.1052;-.7822,1.6951,1.0797;1.6443,.8383,1.7944;1.1018,1.0067,-.7796;1.4323,3.2922,.7388;.8495,1.7985,.6804;-1.282,-.1692,-1.4519;-2.0423,-2.6328,-.6104;-.9008,-1.5217,-.4796;-.5709,-1.0034,1.0756;.5681,-2.0477,-1.0492;.6832,2.8836,-3.8447;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">-9.79384990</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00134789</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">0.00039746</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">0.00134789</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00039746</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00777356</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">0.00218149</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="Mo"
                                 id="a1"
                                 x3="0.009095"
                                 y3="0.919963"
                                 z3="-2.493784"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.157188"
                                 y3="-0.419203"
                                 z3="-2.959758"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.375348"
                                 y3="-1.174428"
                                 z3="-1.226088"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.670109"
                                 y3="-1.271257"
                                 z3="0.583417"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.467677"
                                 y3="-1.06252"
                                 z3="2.410928"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.003987"
                                 y3="-0.550103"
                                 z3="3.472142"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.772694"
                                 y3="-0.03049"
                                 z3="2.44415"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.975741"
                                 y3="0.491152"
                                 z3="1.068673"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.418273"
                                 y3="1.966062"
                                 z3="-0.243076"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.17103"
                                 y3="2.479423"
                                 z3="-1.502266"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.211336"
                                 y3="-2.818378"
                                 z3="2.242235"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.810645"
                                 y3="-1.004883"
                                 z3="3.562404"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.543343"
                                 y3="0.069344"
                                 z3="-1.751613"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.133937"
                                 y3="-2.62785"
                                 z3="-1.904289"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.147531"
                                 y3="2.512007"
                                 z3="-3.070057"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.975499"
                                 y3="1.122896"
                                 z3="-3.956937"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.005526"
                                 y3="3.472259"
                                 z3="0.47316"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.787639"
                                 y3="1.46897"
                                 z3="-1.274911"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.966543"
                                 y3="1.264207"
                                 z3="3.645531"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.737671"
                                 y3="-1.354379"
                                 z3="3.099175"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.781927"
                                 y3="1.697199"
                                 z3="1.081582"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.644797"
                                 y3="0.839171"
                                 z3="1.792723"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.100753"
                                 y3="1.00977"
                                 z3="-0.780366"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.432922"
                                 y3="3.294182"
                                 z3="0.739535"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.849323"
                                 y3="1.800658"
                                 z3="0.680916"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.280751"
                                 y3="-0.168689"
                                 z3="-1.452047"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.044792"
                                 y3="-2.631846"
                                 z3="-0.610001"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.901767"
                                 y3="-1.522549"
                                 z3="-0.480142"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.570816"
                                 y3="-1.003149"
                                 z3="1.074412"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.566923"
                                 y3="-2.049181"
                                 z3="-1.049021"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.687446"
                                 y3="2.877066"
                                 z3="-3.850926"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:.0091,.92,-2.4938;1.1572,-.4192,-2.9598;2.3753,-1.1744,-1.2261;2.6701,-1.2713,.5834;1.4677,-1.0625,2.4109;.004,-.5501,3.4721;-1.7727,-.0305,2.4442;-2.9757,.4912,1.0687;-2.4183,1.9661,-.2431;-1.171,2.4794,-1.5023;1.2113,-2.8184,2.2422;2.8106,-1.0049,3.5624;3.5433,.0693,-1.7516;3.1339,-2.6279,-1.9043;1.1475,2.512,-3.0701;-.9755,1.1229,-3.9569;-3.0055,3.4723,.4732;-3.7876,1.469,-1.2749;-1.9665,1.2642,3.6455;-2.7377,-1.3544,3.0992;-.7819,1.6972,1.0816;1.6448,.8392,1.7927;1.1008,1.0098,-.7804;1.4329,3.2942,.7395;.8493,1.8007,.6809;-1.2808,-.1687,-1.452;-2.0448,-2.6318,-.61;-.9018,-1.5225,-.4801;-.5708,-1.0031,1.0744;.5669,-2.0492,-1.049;.6874,2.8771,-3.8509;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">-9.79384317</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00101300</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">0.00035397</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">0.00101300</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00035397</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00376216</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">0.00119940</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="Mo"
                                 id="a1"
                                 x3="0.009669"
                                 y3="0.918885"
                                 z3="-2.493862"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.156286"
                                 y3="-0.420793"
                                 z3="-2.960391"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.375789"
                                 y3="-1.175679"
                                 z3="-1.226096"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.670259"
                                 y3="-1.27246"
                                 z3="0.583458"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.468182"
                                 y3="-1.06137"
                                 z3="2.411515"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.004112"
                                 y3="-0.549984"
                                 z3="3.471336"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.773944"
                                 y3="-0.032499"
                                 z3="2.442926"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.975433"
                                 y3="0.492267"
                                 z3="1.069247"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.418238"
                                 y3="1.967963"
                                 z3="-0.242816"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.171729"
                                 y3="2.48107"
                                 z3="-1.501408"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.212842"
                                 y3="-2.817403"
                                 z3="2.242963"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.810216"
                                 y3="-1.00167"
                                 z3="3.564318"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.54249"
                                 y3="0.068462"
                                 z3="-1.752901"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.134221"
                                 y3="-2.62958"
                                 z3="-1.902781"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.147209"
                                 y3="2.512009"
                                 z3="-3.069855"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.975835"
                                 y3="1.124912"
                                 z3="-3.955992"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.005239"
                                 y3="3.473743"
                                 z3="0.474471"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.788484"
                                 y3="1.470349"
                                 z3="-1.273312"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.967912"
                                 y3="1.260445"
                                 z3="3.646485"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.738249"
                                 y3="-1.357637"
                                 z3="3.096685"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.781307"
                                 y3="1.698879"
                                 z3="1.082387"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.644886"
                                 y3="0.839332"
                                 z3="1.791589"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.100548"
                                 y3="1.011991"
                                 z3="-0.781006"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.434164"
                                 y3="3.295309"
                                 z3="0.739723"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.849388"
                                 y3="1.802171"
                                 z3="0.680874"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.280079"
                                 y3="-0.168874"
                                 z3="-1.453249"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.044612"
                                 y3="-2.632294"
                                 z3="-0.610059"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.901523"
                                 y3="-1.522956"
                                 z3="-0.480823"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.570991"
                                 y3="-1.003161"
                                 z3="1.073524"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.566985"
                                 y3="-2.050291"
                                 z3="-1.048693"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.688019"
                                 y3="2.874289"
                                 z3="-3.852555"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:.0097,.9189,-2.4939;1.1563,-.4208,-2.9604;2.3758,-1.1757,-1.2261;2.6703,-1.2725,.5835;1.4682,-1.0614,2.4115;.0041,-.55,3.4713;-1.7739,-.0325,2.4429;-2.9754,.4923,1.0692;-2.4182,1.968,-.2428;-1.1717,2.4811,-1.5014;1.2128,-2.8174,2.243;2.8102,-1.0017,3.5643;3.5425,.0685,-1.7529;3.1342,-2.6296,-1.9028;1.1472,2.512,-3.0699;-.9758,1.1249,-3.956;-3.0052,3.4737,.4745;-3.7885,1.4703,-1.2733;-1.9679,1.2604,3.6465;-2.7382,-1.3576,3.0967;-.7813,1.6989,1.0824;1.6449,.8393,1.7916;1.1005,1.012,-.781;1.4342,3.2953,.7397;.8494,1.8022,.6809;-1.2801,-.1689,-1.4532;-2.0446,-2.6323,-.6101;-.9015,-1.523,-.4808;-.571,-1.0032,1.0735;.567,-2.0503,-1.0487;.688,2.8743,-3.8526;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">-9.79386725</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00103054</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">0.00027280</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">0.00103054</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00027280</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00236497</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">0.00089120</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="Mo"
                                 id="a1"
                                 x3="0.009858"
                                 y3="0.918204"
                                 z3="-2.493517"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.15606"
                                 y3="-0.421671"
                                 z3="-2.960541"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.376062"
                                 y3="-1.176699"
                                 z3="-1.226603"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.66961"
                                 y3="-1.274431"
                                 z3="0.583219"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.468976"
                                 y3="-1.060563"
                                 z3="2.411383"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.004156"
                                 y3="-0.549288"
                                 z3="3.470298"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.774697"
                                 y3="-0.033716"
                                 z3="2.442425"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.974996"
                                 y3="0.493313"
                                 z3="1.069677"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.418712"
                                 y3="1.968998"
                                 z3="-0.242913"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.17241"
                                 y3="2.482276"
                                 z3="-1.500705"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.21394"
                                 y3="-2.816885"
                                 z3="2.24394"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.809969"
                                 y3="-0.999372"
                                 z3="3.565535"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.542711"
                                 y3="0.067685"
                                 z3="-1.753066"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.134303"
                                 y3="-2.631065"
                                 z3="-1.901791"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.146794"
                                 y3="2.512184"
                                 z3="-3.0693"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.975787"
                                 y3="1.127208"
                                 z3="-3.95506"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.006031"
                                 y3="3.474173"
                                 z3="0.475286"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.789271"
                                 y3="1.470694"
                                 z3="-1.272537"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.969755"
                                 y3="1.258476"
                                 z3="3.646796"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.738111"
                                 y3="-1.359855"
                                 z3="3.095778"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.780622"
                                 y3="1.700365"
                                 z3="1.082943"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.645305"
                                 y3="0.839066"
                                 z3="1.790413"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.100448"
                                 y3="1.013806"
                                 z3="-0.781571"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.435657"
                                 y3="3.295838"
                                 z3="0.740018"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.849512"
                                 y3="1.80324"
                                 z3="0.680725"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.279887"
                                 y3="-0.168878"
                                 z3="-1.453968"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.044361"
                                 y3="-2.632413"
                                 z3="-0.610541"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.901178"
                                 y3="-1.523079"
                                 z3="-0.481188"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.571035"
                                 y3="-1.003073"
                                 z3="1.072979"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.566993"
                                 y3="-2.051039"
                                 z3="-1.048893"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.688189"
                                 y3="2.871924"
                                 z3="-3.853519"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:.0099,.9182,-2.4935;1.1561,-.4217,-2.9605;2.3761,-1.1767,-1.2266;2.6696,-1.2744,.5832;1.469,-1.0606,2.4114;.0042,-.5493,3.4703;-1.7747,-.0337,2.4424;-2.975,.4933,1.0697;-2.4187,1.969,-.2429;-1.1724,2.4823,-1.5007;1.2139,-2.8169,2.2439;2.81,-.9994,3.5655;3.5427,.0677,-1.7531;3.1343,-2.6311,-1.9018;1.1468,2.5122,-3.0693;-.9758,1.1272,-3.9551;-3.006,3.4742,.4753;-3.7893,1.4707,-1.2725;-1.9698,1.2585,3.6468;-2.7381,-1.3599,3.0958;-.7806,1.7004,1.0829;1.6453,.8391,1.7904;1.1004,1.0138,-.7816;1.4357,3.2958,.74;.8495,1.8032,.6807;-1.2799,-.1689,-1.454;-2.0444,-2.6324,-.6105;-.9012,-1.5231,-.4812;-.571,-1.0031,1.073;.567,-2.051,-1.0489;.6882,2.8719,-3.8535;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">-9.79388764</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00101714</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">0.00022485</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">0.00101714</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00022485</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00141099</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">0.00059291</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="Mo"
                                 id="a1"
                                 x3="0.009956"
                                 y3="0.917759"
                                 z3="-2.493091"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.156603"
                                 y3="-0.421887"
                                 z3="-2.960458"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.376148"
                                 y3="-1.177553"
                                 z3="-1.227097"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.668822"
                                 y3="-1.275798"
                                 z3="0.582866"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.469765"
                                 y3="-1.060088"
                                 z3="2.411036"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.004219"
                                 y3="-0.548322"
                                 z3="3.469559"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.775081"
                                 y3="-0.034264"
                                 z3="2.442683"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.974764"
                                 y3="0.493951"
                                 z3="1.069907"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.419419"
                                 y3="1.969494"
                                 z3="-0.243033"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.173302"
                                 y3="2.482855"
                                 z3="-1.500524"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.214366"
                                 y3="-2.816635"
                                 z3="2.245068"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.810381"
                                 y3="-0.998577"
                                 z3="3.565498"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.543227"
                                 y3="0.066993"
                                 z3="-1.752412"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.134671"
                                 y3="-2.631809"
                                 z3="-1.90189"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.14689"
                                 y3="2.512152"
                                 z3="-3.068732"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.97524"
                                 y3="1.128554"
                                 z3="-3.954673"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.007237"
                                 y3="3.474269"
                                 z3="0.475594"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.789808"
                                 y3="1.47053"
                                 z3="-1.272448"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-1.971138"
                                 y3="1.25786"
                                 z3="3.646974"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.737409"
                                 y3="-1.361151"
                                 z3="3.096073"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.780326"
                                 y3="1.701273"
                                 z3="1.083066"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.64583"
                                 y3="0.838632"
                                 z3="1.789194"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.100114"
                                 y3="1.015063"
                                 z3="-0.782041"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.436465"
                                 y3="3.296072"
                                 z3="0.740713"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.849419"
                                 y3="1.803885"
                                 z3="0.680553"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.279998"
                                 y3="-0.168928"
                                 z3="-1.454014"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.04466"
                                 y3="-2.632088"
                                 z3="-0.611221"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.901157"
                                 y3="-1.523157"
                                 z3="-0.481151"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.57114"
                                 y3="-1.002923"
                                 z3="1.072826"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.566857"
                                 y3="-2.051252"
                                 z3="-1.04933"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="0.688638"
                                 y3="2.870513"
                                 z3="-3.853794"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a1 a15" order="S"/>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a1 a16" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a3 a30" order="S"/>
                           <bond atomRefs2="a3 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a5 a11" order="S"/>
                           <bond atomRefs2="a5 a22" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a31" order="S"/>
                           <bond atomRefs2="a21 a25" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a27 a28" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:.01,.9178,-2.4931;1.1566,-.4219,-2.9605;2.3761,-1.1776,-1.2271;2.6688,-1.2758,.5829;1.4698,-1.0601,2.411;.0042,-.5483,3.4696;-1.7751,-.0343,2.4427;-2.9748,.494,1.0699;-2.4194,1.9695,-.243;-1.1733,2.4829,-1.5005;1.2144,-2.8166,2.2451;2.8104,-.9986,3.5655;3.5432,.067,-1.7524;3.1347,-2.6318,-1.9019;1.1469,2.5122,-3.0687;-.9752,1.1286,-3.9547;-3.0072,3.4743,.4756;-3.7898,1.4705,-1.2724;-1.9711,1.2579,3.647;-2.7374,-1.3612,3.0961;-.7803,1.7013,1.0831;1.6458,.8386,1.7892;1.1001,1.0151,-.782;1.4365,3.2961,.7407;.8494,1.8039,.6806;-1.28,-.1689,-1.454;-2.0447,-2.6321,-.6112;-.9012,-1.5232,-.4812;-.5711,-1.0029,1.0728;.5669,-2.0513,-1.0493;.6886,2.8705,-3.8538;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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>
                        <scalar dataType="xsd:string" dictRef="x:converged">CONVERGED</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.79390126</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00097105</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">0.00018198</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">0.00097105</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00018198</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00119994</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">0.00051502</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">-7</scalar>
                     </module>
                  </module>
                  <module cmlx:templateRef="adf.frequencyanalysis">
                     <module cmlx:templateRef="masses">
                        <array dataType="xsd:string" dictRef="cc:elementType" size="31">Mo O Mo O Mo O Mo O Mo O O O O O O O O O O O O O O O Si O O Si O O H</array>
                        <array dataType="xsd:double" dictRef="cc:atomicmass" size="31">97.90540600 15.99491400 97.90540600 15.99491400 97.90540600 15.99491400 97.90540600 15.99491400 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 27.97692600 15.99491400 15.99491400 27.97692600 15.99491400 15.99491400 1.00782500</array>
                     </module>
                     <module cmlx:templateRef="thermochemistry">
                        <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.000000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.150000</scalar>
                        <array dataType="xsd:double" dictRef="cc:moi" size="3">17874.8647 18582.5714 28248.7975</array>
                        <scalar dataType="xsd:integer" dictRef="cc:symmnumber">1</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:pointgroup">NOSYM</scalar>
                        <module cmlx:templateRef="energies">
                           <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                           <list cmlx:templateRef="entropy">
                              <scalar dataType="xsd:double"
                                      dictRef="cc:transl"
                                      units="nonsi2:cal.mol-1.K-1">46.315</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:rotat"
                                      units="nonsi2:cal.mol-1.K-1">37.482</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:vibrat"
                                      units="nonsi2:cal.mol-1.K-1">127.702</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:total"
                                      units="nonsi2:cal.mol-1.K-1">211.499</scalar>
                           </list>
                           <list cmlx:templateRef="internalEnergy">
                              <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi2:kcal.mol-1">0.889</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi2:kcal.mol-1">0.889</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi2:kcal.mol-1">75.555</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi2:kcal.mol-1">77.332</scalar>
                           </list>
                           <list cmlx:templateRef="heat">
                              <scalar dataType="xsd:double"
                                      dictRef="cc:transl"
                                      units="nonsi2:cal.mol-1.K-1">2.981</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:rotat"
                                      units="nonsi2:cal.mol-1.K-1">2.981</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:vibrat"
                                      units="nonsi2:cal.mol-1.K-1">120.387</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:total"
                                      units="nonsi2:cal.mol-1.K-1">126.349</scalar>
                           </list>
                        </module>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">10767.12</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">351.85</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">11412.45</scalar>
               </property>
               <property dictRef="cc:zeropoint">
                  <scalar dataType="xsd:double"
                          dictRef="cc:zeropoint"
                          units="nonsi:electronvolt">2.393068</scalar>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:double" dictRef="cc:frequency" size="87">-21.113 40.482 47.066 56.583 75.122 78.213 88.232 91.921 97.408 109.819 120.552 127.306 129.895 138.096 146.640 154.009 156.241 163.627 169.077 171.932 175.867 185.599 190.652 193.666 196.843 199.781 204.611 207.633 219.022 226.760 239.970 253.844 259.962 262.880 266.985 276.851 286.190 302.084 305.968 320.601 325.186 330.427 334.792 336.547 345.566 347.078 349.287 361.731 367.480 371.779 385.286 389.449 409.752 422.683 430.016 455.218 465.392 474.449 489.307 507.458 515.236 529.987 557.107 601.484 678.175 679.400 722.189 726.146 755.514 760.173 761.738 771.744 793.631 803.480 809.039 817.554 822.662 830.349 831.988 856.087 864.345 873.110 880.911 893.824 971.995 996.564 3661.481</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="31">Mo O Mo O Mo O Mo O Mo O O O O O O O O O O O O O O O Si O O Si O O H</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="8091">0.086 0.119 0.066 -0.003 0.017 0.090 -0.018 -0.202 -0.070 -0.063 -0.105 -0.061 0.007 0.050 -0.026 0.051 0.143 -0.003 0.008 -0.003 0.023 0.024 -0.125 -0.015 -0.027 -0.097 -0.052 -0.075 0.101 -0.012 -0.011 0.037 0.120 0.050 0.106 -0.077 -0.010 -0.217 -0.070 -0.051 -0.239 0.000 0.036 0.109 -0.069 0.075 0.093 0.058 -0.163 -0.172 -0.000 0.008 -0.179 -0.062 -0.087 0.022 -0.019 0.101 -0.050 0.071 -0.033 -0.014 -0.009 0.044 0.023 -0.109 0.061 0.402 -0.045 -0.151 0.196 0.327 -0.031 0.158 0.066 0.074 0.165 0.132 -0.100 0.152 -0.033 -0.030 0.069 0.025 0.051 -0.025 0.033 -0.074 -0.017 -0.034 0.089 -0.064 -0.180 0.018 -0.072 0.022 0.075 -0.035 0.007 0.004 -0.096 -0.022 -0.096 -0.096 0.010 0.009 0.087 -0.049 -0.002 0.247 -0.095 -0.010 -0.061 -0.058 0.027 -0.026 -0.093 -0.017 0.130 0.109 -0.033 -0.046 0.054 -0.089 0.078 0.175 -0.006 0.136 -0.035 -0.025 -0.021 0.101 0.105 -0.046 0.007 0.006 -0.025 0.052 0.053 0.029 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                  </module>
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               <property dictRef="cc:intensities">
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                            dictRef="cc:frequency"
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                            size="87"
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                            dictRef="cc:absortion"
                            size="87"
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                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="scanfreq">
                     <list cmlx:templateRef="scanfreq">
                        <array dataType="xsd:double"
                               dictRef="a:oldfreq"
                               size="1"
                               units="nonsi:cm-1">-21.113</array>
                        <array dataType="xsd:double"
                               dictRef="a:newfreq"
                               size="1"
                               units="nonsi:cm-1">45.755</array>
                        <array dataType="xsd:double"
                               dictRef="a:dipolederivX"
                               size="1"
                               units="nonsi:hartree">-0.104</array>
                        <array dataType="xsd:double"
                               dictRef="a:dipolederivY"
                               size="1"
                               units="nonsi:hartree">0.118</array>
                        <array dataType="xsd:double"
                               dictRef="a:dipolederivZ"
                               size="1"
                               units="nonsi:hartree">0.068</array>
                        <array dataType="xsd:double"
                               dictRef="cc:irintensity"
                               size="1"
                               units="nonsi2:km.mol-1">28.669</array>
                        <array dataType="xsd:double"
                               dictRef="cc:forceconst"
                               size="1"
                               units="nonsi:hartree">0.00374941</array>
                        <array dataType="xsd:double"
                               dictRef="cc:redmass"
                               size="1"
                               units="nonsi:hartree">47.325902</array>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:thermochemistry">
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                     <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.000000</scalar>
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                     <array dataType="xsd:double" dictRef="cc:moi" size="3">17874.8647 18582.5714 28248.7975</array>
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                     <scalar dataType="xsd:string" dictRef="cc:pointgroup">NOSYM</scalar>
                     <module cmlx:templateRef="energies">
                        <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                        <list cmlx:templateRef="entropy">
                           <scalar dataType="xsd:double"
                                   dictRef="cc:transl"
                                   units="nonsi2:cal.mol-1.K-1">46.315</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:rotat"
                                   units="nonsi2:cal.mol-1.K-1">37.482</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:vibrat"
                                   units="nonsi2:cal.mol-1.K-1">132.695</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:total"
                                   units="nonsi2:cal.mol-1.K-1">216.492</scalar>
                        </list>
                        <list cmlx:templateRef="internalEnergy">
                           <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi2:kcal.mol-1">0.889</scalar>
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                           <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi2:kcal.mol-1">76.150</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi2:kcal.mol-1">77.927</scalar>
                        </list>
                        <list cmlx:templateRef="heat">
                           <scalar dataType="xsd:double"
                                   dictRef="cc:transl"
                                   units="nonsi2:cal.mol-1.K-1">2.981</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:rotat"
                                   units="nonsi2:cal.mol-1.K-1">2.981</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:vibrat"
                                   units="nonsi2:cal.mol-1.K-1">122.366</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:total"
                                   units="nonsi2:cal.mol-1.K-1">128.328</scalar>
                        </list>
                     </module>
                  </module>
               </property>
            </propertyList>
            <molecule id="finalization.0">
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                        id="a1"
                        x3="0.009956"
                        y3="0.917759"
                        z3="-2.493091"/>
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                        id="a2"
                        x3="1.156603"
                        y3="-0.421887"
                        z3="-2.960458"/>
                  <atom elementType="Mo"
                        id="a3"
                        x3="2.376148"
                        y3="-1.177553"
                        z3="-1.227097"/>
                  <atom elementType="O"
                        id="a4"
                        x3="2.668822"
                        y3="-1.275798"
                        z3="0.582866"/>
                  <atom elementType="Mo"
                        id="a5"
                        x3="1.469765"
                        y3="-1.060088"
                        z3="2.411036"/>
                  <atom elementType="O"
                        id="a6"
                        x3="0.004219"
                        y3="-0.548322"
                        z3="3.469559"/>
                  <atom elementType="Mo"
                        id="a7"
                        x3="-1.775081"
                        y3="-0.034264"
                        z3="2.442683"/>
                  <atom elementType="O"
                        id="a8"
                        x3="-2.974764"
                        y3="0.493951"
                        z3="1.069907"/>
                  <atom elementType="Mo"
                        id="a9"
                        x3="-2.419419"
                        y3="1.969494"
                        z3="-0.243033"/>
                  <atom elementType="O"
                        id="a10"
                        x3="-1.173302"
                        y3="2.482855"
                        z3="-1.500524"/>
                  <atom elementType="O"
                        id="a11"
                        x3="1.214366"
                        y3="-2.816635"
                        z3="2.245068"/>
                  <atom elementType="O"
                        id="a12"
                        x3="2.810381"
                        y3="-0.998577"
                        z3="3.565498"/>
                  <atom elementType="O"
                        id="a13"
                        x3="3.543227"
                        y3="0.066993"
                        z3="-1.752412"/>
                  <atom elementType="O"
                        id="a14"
                        x3="3.134671"
                        y3="-2.631809"
                        z3="-1.90189"/>
                  <atom elementType="O"
                        id="a15"
                        x3="1.14689"
                        y3="2.512152"
                        z3="-3.068732"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-0.97524"
                        y3="1.128554"
                        z3="-3.954673"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-3.007237"
                        y3="3.474269"
                        z3="0.475594"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-3.789808"
                        y3="1.47053"
                        z3="-1.272448"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-1.971138"
                        y3="1.25786"
                        z3="3.646974"/>
                  <atom elementType="O"
                        id="a20"
                        x3="-2.737409"
                        y3="-1.361151"
                        z3="3.096073"/>
                  <atom elementType="O"
                        id="a21"
                        x3="-0.780326"
                        y3="1.701273"
                        z3="1.083066"/>
                  <atom elementType="O"
                        id="a22"
                        x3="1.64583"
                        y3="0.838632"
                        z3="1.789194"/>
                  <atom elementType="O"
                        id="a23"
                        x3="1.100114"
                        y3="1.015063"
                        z3="-0.782041"/>
                  <atom elementType="O"
                        id="a24"
                        x3="1.436465"
                        y3="3.296072"
                        z3="0.740713"/>
                  <atom elementType="Si"
                        id="a25"
                        x3="0.849419"
                        y3="1.803885"
                        z3="0.680553"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-1.279998"
                        y3="-0.168928"
                        z3="-1.454014"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-2.04466"
                        y3="-2.632088"
                        z3="-0.611221"/>
                  <atom elementType="Si"
                        id="a28"
                        x3="-0.901157"
                        y3="-1.523157"
                        z3="-0.481151"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-0.57114"
                        y3="-1.002923"
                        z3="1.072826"/>
                  <atom elementType="O"
                        id="a30"
                        x3="0.566857"
                        y3="-2.051252"
                        z3="-1.04933"/>
                  <atom elementType="H"
                        id="a31"
                        x3="0.688638"
                        y3="2.870513"
                        z3="-3.853794"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a23" order="S"/>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a1 a16" order="S"/>
                  <bond atomRefs2="a1 a26" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a30" order="S"/>
                  <bond atomRefs2="a3 a13" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a22" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a29" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a17" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a15 a31" order="S"/>
                  <bond atomRefs2="a21 a25" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
               </bondArray>
               <formula concise="HMo5O23Si2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">903.8572000000007</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/5Mo.2O4Si.H2O.14O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;1H2;;;;;;;;;;;;;;/q4*+1;+3;2*-3;;;;;;;;;;;;;;;/p-1/rHMo5O23Si2/c6-1(7)18-2(8,9)20-4(12,13)22-5(14,15,27-29(16,23-1)26-4)21-3(10,11,19-1)25-30(17,24-2)28-5/h14H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:3;5;7;9;1;21,22,23,24,25;26,27,29,30,28;15;2;4;6;8;10;11;12;13;14;16;17;18;19;20/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:31nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1O1OOOO1SiOO1SiOOH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s9;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s15;/rC:.01,.9178,-2.4931;1.1566,-.4219,-2.9605;2.3761,-1.1776,-1.2271;2.6688,-1.2758,.5829;1.4698,-1.0601,2.411;.0042,-.5483,3.4696;-1.7751,-.0343,2.4427;-2.9748,.494,1.0699;-2.4194,1.9695,-.243;-1.1733,2.4829,-1.5005;1.2144,-2.8166,2.2451;2.8104,-.9986,3.5655;3.5432,.067,-1.7524;3.1347,-2.6318,-1.9019;1.1469,2.5122,-3.0687;-.9752,1.1286,-3.9547;-3.0072,3.4743,.4756;-3.7898,1.4705,-1.2724;-1.9711,1.2579,3.647;-2.7374,-1.3612,3.0961;-.7803,1.7013,1.0831;1.6458,.8386,1.7892;1.1001,1.0151,-.782;1.4365,3.2961,.7407;.8494,1.8039,.6806;-1.28,-.1689,-1.454;-2.0447,-2.6321,-.6112;-.9012,-1.5232,-.4812;-.5711,-1.0029,1.0728;.5669,-2.0513,-1.0493;.6886,2.8705,-3.8538;/R:/0/N:5,7,3,9,1,11,12,19,20,13,14,17,18,15,16,24,27,6,4,8,2,10,22,29,30,21,23,26,25,28/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1</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">111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130</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">-5.132 -5.128 -5.023 -4.993 -4.867 -4.719 -4.464 -4.382 -4.240 -4.123 -2.152 -2.030 -1.910 -1.785 -1.753 -1.525 -1.350 -1.269 -1.153 -1.005</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">0.00000000062630</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00026346117648</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00011528872006</scalar>
               </module>
               <module cmlx:templateRef="qtaim" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="atoms">
                     <array dataType="xsd:integer" dictRef="a:id" size="31">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</array>
                     <array dataType="xsd:integer" dictRef="cc:atomicNumber" size="31">42 42 42 42 42 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 14 14 1</array>
                     <array dataType="xsd:double" dictRef="x:coords" size="93">0.009956 0.917759 -2.493091 2.376148 -1.177553 -1.227097 1.469765 -1.060088 2.411036 -1.775081 -0.034264 2.442683 -2.419419 1.969494 -0.243033 1.156602 -0.421887 -2.960458 2.668822 -1.275798 0.582866 0.004219 -0.548322 3.469559 -2.974764 0.493951 1.069907 -1.173302 2.482855 -1.500524 1.214366 -2.816635 2.245068 2.810381 -0.998577 3.565498 3.543227 0.066993 -1.752412 3.134671 -2.631809 -1.901890 1.146890 2.512152 -3.068732 -0.975240 1.128554 -3.954672 -3.007237 3.474268 0.475594 -3.789808 1.470530 -1.272447 -1.971138 1.257860 3.646974 -2.737409 -1.361151 3.096073 -0.780326 1.701273 1.083066 1.645830 0.838632 1.789194 1.100114 1.015063 -0.782041 1.436465 3.296072 0.740713 -1.279998 -0.168928 -1.454014 -2.044660 -2.632088 -0.611221 -0.571140 -1.002923 1.072825 0.566857 -2.051251 -1.049330 0.849419 1.803885 0.680553 -0.901157 -1.523157 -0.481151 0.688638 2.870513 -3.853794</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">0.009956</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.917759</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.493091</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240648E+06</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">2.376148</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.177553</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.227097</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240647E+06</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">1.469765</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.060088</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.411036</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">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">-1.775081</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.034264</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.442683</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240650E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">5</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.419419</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.969494</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.243033</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240650E+06</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">1.156602</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.421887</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.960458</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192122E+03</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">2.668822</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.275798</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.582866</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190629E+03</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">0.004219</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.548322</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.469559</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190495E+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">-2.974764</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.493951</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.069907</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190518E+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">-1.173302</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.482855</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.500524</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191124E+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">1.214366</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.816635</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.245068</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192741E+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">2.810381</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.998577</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.565498</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192723E+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">3.543227</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.066993</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.752412</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192600E+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">3.134671</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.631809</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.901890</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192542E+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">1.146890</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.512152</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.068732</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188538E+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">-0.975240</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.128554</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.954672</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193175E+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">-3.007237</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.474268</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.475594</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192638E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">18</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.789808</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.470530</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.272447</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192481E+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">-1.971138</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.257860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.646974</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192815E+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">-2.737409</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.361151</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.096073</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192990E+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">-0.780326</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.701273</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.083066</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187343E+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">1.645830</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.838632</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.789194</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187498E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">23</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.100114</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.015063</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.782041</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187613E+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">1.436465</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.296072</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.740713</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187529E+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">-1.279998</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.168928</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.454014</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188182E+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">-2.044660</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.632088</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.611221</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187633E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">27</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.571140</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.002923</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.072825</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187070E+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">0.566857</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.051251</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.049330</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187499E+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">0.849419</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.803885</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.680553</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1943381E+04</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">-0.901157</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.523157</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.481151</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1943384E+04</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">0.688638</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.870513</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.853794</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4810095E+00</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">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.768371</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.955603</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.285323</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3119069E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5127327E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4898226E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2642529E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1492326E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1249599E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3123998E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2013365E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1704318E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3032359E+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">0.2970046E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2816095E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1539516E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7251341E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1405186E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8083846E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1826790E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1702054E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5160412E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4425164E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</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">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.160327</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.054319</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.043547</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7826167E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6632202E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5348109E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2870752E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2672566E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2958268E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7395670E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9826987E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7186059E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3077218E+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">0.5816209E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4236748E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1579461E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1147582E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2704908E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1466065E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6775762E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4301865E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4242593E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2163690E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</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">-0.390534</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.375611</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.038958</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6730437E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3041347E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1123604E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1657193E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2289326E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2775160E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6937901E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3217824E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5957497E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6537895E+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">0.5314143E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3690385E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1623758E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9385183E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2221241E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1060991E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1559579E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1203074E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4225197E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6803058E+01</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">0.972449</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.451927</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.305462</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5226921E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4444365E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2571720E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3054778E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1951145E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1935284E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4838211E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1482240E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5605465E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4894801E+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">0.3677481E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2516751E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1160730E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6699561E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1566912E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6809562E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9243988E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7166943E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4275646E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7366476E+01</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">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.584968</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.090958</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.080889</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2164472E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6406082E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7070559E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6331085E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6747756E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8183481E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2045870E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7986879E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1415560E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2486383E+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">0.1846589E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1647308E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1992812E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4455069E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9213120E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4794255E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1202737E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1030576E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4835570E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3986121E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</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">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.268919</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.826758</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.501661</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1284117E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3135044E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2172804E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2619537E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2244729E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5152951E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1288238E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2039978E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9416681E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1393791E+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">0.1061007E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8337767E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2272305E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2220876E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4985380E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2519037E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5623367E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4365587E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4454777E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4479588E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</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">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.058449</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.364794</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.118525</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7896822E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3505351E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2987256E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1972729E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1823423E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3084614E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7711534E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6139113E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6995728E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1202638E+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">0.6040153E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4368771E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1671382E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1161417E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2736286E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1318085E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3249670E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2263640E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4244501E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4056058E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</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">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.552569</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.820893</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.433660</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8772145E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3680121E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3372784E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3135970E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1438499E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3404235E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8510586E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3551870E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3505662E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7117565E-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">0.1064626E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1278194E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2135677E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2878676E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4587472E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3205997E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9538448E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1151067E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6275081E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3361131E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</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">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-3.148850</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.695729</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.789118</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2010921E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8275593E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5421173E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4121906E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4701724E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7696410E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1924103E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2186608E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6179926E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1312453E-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">0.3264537E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4604972E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1340435E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8701185E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1179113E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8873963E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1771604E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2423758E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7379431E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5008999E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</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">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.514836</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.037628</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.269908</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2050545E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9585441E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5322942E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1200579E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7880709E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8325471E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2081368E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2394627E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5901828E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1208055E-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">0.3434891E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4788414E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1353523E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8930536E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1205698E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9629810E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1874600E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2556849E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7406944E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5136995E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</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">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.651497</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.340818</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.933096</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1235339E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8798800E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5688545E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5780681E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3412194E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4761403E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1190351E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7597433E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4434609E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2733962E-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">0.1673357E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2156364E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4830065E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4543949E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6771515E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4872341E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1255927E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1620588E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6710388E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3879477E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</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">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.176870</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.324396</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.250355</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1082104E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1465354E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3799614E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1391709E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2569735E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4305523E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1076381E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1390461E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8472972E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1354437E+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">0.8695896E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6627984E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2067912E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1767708E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4054214E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2024201E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4955956E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3674017E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4360174E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4084382E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</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">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.801491</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.065007</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.325135</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8792539E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4664128E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3320083E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1910827E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2660805E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3636920E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9092299E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9405544E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7096921E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1328964E+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">0.7136988E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5181677E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1955311E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1340306E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3136030E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1643469E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4629145E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3221472E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4273895E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3550265E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">45</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.609031</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.720671</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.965191</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7250929E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2728396E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1993848E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8557743E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1654196E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2821308E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7053270E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2346090E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3079537E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1312759E-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">0.8322314E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9591359E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1269045E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2233109E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3692486E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2546890E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8267393E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9568824E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6047713E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3080645E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">46</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.968450</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.293925</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.474966</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7396154E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2197863E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2161176E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8297276E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3911986E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2929362E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7323405E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5779630E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6604654E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1276155E+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">0.5688412E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4053420E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1634992E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1064289E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2514430E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1255147E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3527261E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2369085E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4232725E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3558419E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">47</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.079395</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.167141</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.450976</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7060415E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7050145E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7048331E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6988022E-20</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1599198E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2783804E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6959510E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2239550E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2985554E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8843514E-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">0.8102672E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9245834E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1143162E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2155222E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3582028E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2497666E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8193078E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9423801E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6016765E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3048507E+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">2.184121</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.027254</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.025834</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2085602E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1748902E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1332463E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4248565E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1131988E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7721431E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1930358E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2309515E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6545877E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1752192E-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">0.3392886E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4855414E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1462528E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9134688E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1229291E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8997782E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1779470E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2448205E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7430858E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5056440E+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">1.737180</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.776650</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.113114</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6395215E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1105214E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6677584E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2531570E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8435093E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2404024E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6010059E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1693472E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2931566E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2040853E-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">0.6943187E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7876315E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9331278E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1888826E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3199493E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2103546E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7097164E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7967204E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5903516E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2963925E+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">1.713354</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.061297</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.988607</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3028811E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7725102E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3273719E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6963426E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6860451E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1134550E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2836374E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2921787E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1787488E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5905548E-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">0.2735914E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2635453E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1004605E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6972918E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1358478E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8261265E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3409996E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3140203E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5132891E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2422661E+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">1.543455</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.066540</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.057888</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1147065E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2864285E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3075661E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2836612E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2513316E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4684726E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1171182E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6805928E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3983295E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1348305E-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">0.1558315E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1945448E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3871331E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4116258E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6224226E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4705307E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1249287E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1590143E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6613284E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3766395E+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">1.433602</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.060910</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.576643</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2173025E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2418816E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1643003E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6325860E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1658628E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8033831E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2008458E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5502566E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1451437E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1524714E+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">0.1824830E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1641203E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1836275E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4478555E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9255398E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4399872E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6241743E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5561302E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4838858E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7049107E+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">1.410560</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.608592</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.129615</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1114253E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6947827E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5935329E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1353220E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3348575E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4568225E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1142056E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6411544E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3891993E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1266903E-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">0.1502183E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1862311E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3601271E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3960015E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6022208E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4557187E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1227112E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1553885E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6575687E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3713750E+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">-1.797247</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.905735</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.878208</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2251228E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5154863E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1128650E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4915080E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1068062E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8669173E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2167293E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1377088E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1426707E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5632549E+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">0.1960211E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1753128E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2070824E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4694735E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9642959E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5737423E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2353101E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1997511E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4868563E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2438239E+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">-2.733378</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.772044</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.140343</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2102682E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2200719E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4995462E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2140757E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1038124E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7520400E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1880100E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2288877E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6812841E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9260057E-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">0.3388203E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4896307E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1508104E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9234566E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1240810E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8792906E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1748841E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2414717E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7442367E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5027848E+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">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.378268</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.285208</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.198076</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7717796E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1607764E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8812868E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7418849E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1121537E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3022201E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7555503E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3986880E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6872456E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7659103E+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">0.5902417E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4249330E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1653087E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1126444E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2656824E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1187758E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1471603E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1211077E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4239812E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8071183E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</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">-1.751284</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.225983</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.910431</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1749359E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1625984E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1524318E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5442126E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1552849E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6389053E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1597263E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1571040E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5901668E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5680624E-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">0.2635928E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3674593E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1038665E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7225871E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1005845E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7139392E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1578658E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2148064E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7183884E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4522444E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">58</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.944241</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.479026</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.075539</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1276782E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5302879E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1347149E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9987095E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5030735E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6522981E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1630745E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1311320E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3420017E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2042454E-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">0.2016693E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2402641E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3859477E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4748328E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7030308E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7010143E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2210685E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2960241E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6754082E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3171028E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">59</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.172502</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.396180</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.134745</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1302913E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1513206E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7097459E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8739655E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1011058E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6758069E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1689517E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1395841E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3414415E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1768751E-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">0.2087797E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2486077E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3982797E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4878343E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7194080E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7300708E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2288530E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3078584E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6781051E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3190130E+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">1.092863</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.425455</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.703801</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1565178E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9216200E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3307050E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8587910E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4995699E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9115144E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2278786E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2266504E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3436548E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4893779E-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">0.2824383E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3369981E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5455976E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6229740E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8862042E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1019552E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2830213E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3922262E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7029689E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3602388E+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">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.588434</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.759953</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.800318</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1099396E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1716306E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1526929E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4927021E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6094571E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3953105E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9882763E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5607623E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4398100E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1186073E+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">0.1383274E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1778272E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3949976E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3889771E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5930995E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3953406E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1105076E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1401707E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6558378E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3577496E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</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">-1.241120</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.845054</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.743172</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4405632E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9288375E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1387080E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8483056E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3519612E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1670596E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4176491E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7066128E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2266846E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1860273E-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">0.4362238E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4547984E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1857467E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1149201E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2089064E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1328913E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4924002E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5020809E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5501034E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2698847E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">63</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.288607</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.741943</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.790325</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2115748E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3507557E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3346119E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1041376E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1482646E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7936564E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1984141E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2415494E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6522596E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1389817E-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">0.3479719E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4975297E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1495578E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9311156E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1249633E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9282855E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1822087E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2509433E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7451109E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5094629E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">64</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.431260</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.027921</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.704407</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4034616E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1092183E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8772953E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4781104E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6505340E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1620658E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4051645E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6171763E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2018020E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1915513E-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">0.4063814E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4075982E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1216832E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1022009E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1888642E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1266375E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4871630E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4853241E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5411342E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2599488E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">65</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.798449</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.082254</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.124784</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8432911E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3565945E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2782377E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2189622E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4241468E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3270462E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8176156E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8290942E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7361504E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1374214E+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">0.6453917E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4731679E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1722239E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1267715E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2975103E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1476025E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4411861E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3015849E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4261080E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3345584E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">66</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.567513</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.990774</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.584633</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1079984E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1801962E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5225177E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2010009E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1724424E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4586812E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1146703E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6226674E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3679577E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5880167E-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">0.1467699E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1788695E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3209961E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3798467E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5812064E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4546180E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1248288E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1572663E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6535486E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3641932E+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">0.009779</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.835508</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.172806</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3012438E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5443268E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4882305E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5283490E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2348002E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1229541E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3073853E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1848336E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1634558E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2630503E+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">0.2886633E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2699414E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1872194E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6922705E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1350024E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7844499E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1737508E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1607123E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5127837E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4514800E+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">-0.837163</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.305051</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.960082</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8842781E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2322477E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1902944E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7968632E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1066635E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3380334E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8450834E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3607887E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3577956E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4786752E-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">0.1067334E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1289585E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2222508E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2909624E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4629556E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3198760E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9622806E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1164895E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6284889E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3324145E+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">0.196097</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.756842</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.767810</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1340618E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2630212E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6453112E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6521225E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2547270E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5630123E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1407531E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2155162E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9259840E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1286172E+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">0.1155579E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9036272E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2519517E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2352113E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5248660E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2732374E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5209683E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4164206E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4481360E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5244799E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">70</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.780187</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.952861</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.587771</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2074489E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1239692E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4362613E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1034459E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5257432E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7496174E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1874044E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2237295E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6682806E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1357367E-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">0.3336674E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4799304E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1462630E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9069848E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1221805E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8729466E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1741107E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2398526E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7423320E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5013746E+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">-2.393675</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.256159</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.709316</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1527063E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1490206E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3347474E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6467944E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1342107E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5681391E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1420348E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1194439E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5291597E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6694321E-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">0.2199550E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2978752E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7792020E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6028293E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8616981E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6145804E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1466546E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1964516E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6995829E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4190666E+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">-0.771736</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.299255</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.159381</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1302547E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1212661E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6812688E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5800546E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8185089E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6746636E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1686659E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1382512E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3418599E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3337481E-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">0.2085441E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2484224E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3987823E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4876515E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7191783E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7275272E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2262261E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3039803E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6780676E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3215929E+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">-1.043739</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.960874</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.878410</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1188491E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2854043E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1562923E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2089373E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1156441E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5732495E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1433124E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1035336E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3453525E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1078236E-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">0.1780304E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2127484E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3471803E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4315651E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6480381E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6032412E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1919305E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2524531E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6659563E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3143019E+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">0.685074</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.789534</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.957573</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1606248E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3719884E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2939089E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1016292E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2041186E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5805015E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1451254E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1299565E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5634183E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6166584E-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">0.2330274E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3209295E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8790204E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6448648E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9127090E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6360652E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1484155E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2003039E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7065393E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4285707E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">75</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.516352</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.224069</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.263408</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1743829E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1225173E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1146130E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4047496E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1536586E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6690635E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1672659E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1611600E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5605988E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5616984E-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">0.2677924E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3683188E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1005265E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7195431E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1002223E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7448184E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1614734E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2185127E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7179468E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4612639E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">76</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.379109</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.983989</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.534339</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1589555E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4502553E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3661874E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2562001E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5475483E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9351965E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2337991E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2365168E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3436922E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4852391E-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">0.2897910E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3457828E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5599184E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6359445E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9019239E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1049518E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2887243E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4011065E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7050977E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3635016E+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">0.794163</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.784951</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.670237</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3420788E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1375550E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6806473E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7000939E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1193297E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1658148E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4145371E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6207863E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6953446E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8532359E-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">0.2040521E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8226413E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6185892E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1766932E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2178236E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1697283E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5744778E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1402999E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8111759E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2954480E+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">-2.693118</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.197448</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.450220</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1039577E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1995464E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5098086E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1436759E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1287514E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3906421E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9766053E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5111061E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4054416E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5297935E-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">0.1310997E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1645390E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3343922E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3610165E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5565410E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3844771E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1085689E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1359698E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6486790E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3541319E+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">1.332560</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.995644</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.312361</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2026138E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1024204E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1412990E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1008631E-10</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1081378E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7714069E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1928517E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2211340E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6243739E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1741357E-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">0.3292538E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4656559E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1364021E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8789088E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1189312E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8911368E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1771689E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2425118E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7390058E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5029873E+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">2.990506</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.508590</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.511590</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2014208E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1754640E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9599174E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1348048E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5831680E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7632546E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1908137E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2169750E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6248621E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1358237E-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">0.3259295E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4610453E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1351158E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8720153E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1181315E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8802010E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1752540E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2396700E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7381733E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5022432E+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">-1.870995</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.657206</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.084939</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2056655E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5545116E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1022199E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3808260E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3898791E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7717854E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1929463E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2271895E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6398121E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2542948E-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">0.3343799E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4758134E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1414335E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8966034E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1209805E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8962668E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1787802E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2458012E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7411140E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5013233E+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">-0.290292</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.729955</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.717095</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1343538E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1213905E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7829183E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6158543E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6937778E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7104848E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1776212E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1522583E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3418285E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1846810E-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">0.2196075E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2615937E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4198625E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5082199E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7449586E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7728985E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2390022E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3235469E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6822123E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3233855E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">83</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.622525</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.207042</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.729912</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1814753E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4332977E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1612751E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3808531E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1291827E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7117074E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1779268E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1793073E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5632151E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9181741E-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">0.2856364E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3933459E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1077095E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7588253E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1048800E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7998743E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1692343E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2297415E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7235180E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4726430E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">84</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.155175</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.536146</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.713081</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1008380E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1447620E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8297356E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6718889E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9776026E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3910524E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9776309E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4909459E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3849629E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6910864E-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">0.1279007E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1580382E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3013758E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3466445E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5375845E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3817759E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1087426E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1352912E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6448185E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3510822E+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">0.175871</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.757337</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.837010</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1288471E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1952973E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1715034E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5554831E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9325646E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6448828E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1612207E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1295473E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3512288E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2193358E-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">0.2018561E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2424914E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4063537E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4806378E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7103512E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6926186E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2148147E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2877222E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6766201E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3224261E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <list cmlx:templateRef="bondPaths">
                     <array dataType="xsd:integer" dictRef="a:bondPath" size="39">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</array>
                     <array dataType="xsd:integer" dictRef="a:cp" size="39">83 45 61 41 66 42 49 75 80 70 50 53 47 74 79 48 51 64 68 71 81 63 62 84 78 57 55 40 39 54 77 85 59 58 60 73 76 72 82</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx1" size="39">1 1 1 1 1 1 2 3 3 3 3 3 4 5 5 5 5 5 6 7 7 7 7 7 8 9 9 9 9 9 15 21 22 23 24 26 27 28 28</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx2" size="39">2 10 15 16 23 26 3 4 13 14 23 30 5 6 11 12 22 29 7 8 19 20 21 29 9 10 17 18 21 26 31 25 25 25 25 28 28 29 30</array>
                     <array dataType="xsd:double" dictRef="a:distance" size="39">1.824248 2.198821 2.041095 1.775181 2.031158 1.981048 2.250080 1.836103 1.785196 1.773574 2.575635 2.017048 2.196924 1.878883 1.782760 1.770259 2.005698 2.441182 2.117696 1.898096 1.777172 1.764546 2.418716 2.065014 2.051693 1.843267 1.768135 1.785112 2.125349 2.708801 0.977108 1.681849 1.671846 1.680557 1.604638 1.709947 1.598201 1.671645 1.660354</array>
                     <array dataType="xsd:double" dictRef="a:length" size="39">1.824449 2.199309 2.041601 1.775463 2.032194 1.981910 2.250620 1.836506 1.785590 1.773608 2.576078 2.018534 2.197594 1.879242 1.783135 1.770339 2.007507 2.441888 2.118419 1.898708 1.777437 1.764600 2.419725 2.065744 2.052310 1.843694 1.768199 1.785335 2.126166 2.711402 0.977203 1.682084 1.672111 1.680692 1.604646 1.710404 1.598211 1.671892 1.660641</array>
                     <array dataType="xsd:double" dictRef="a:steps" size="39">22 25 26 21 24 23 25 22 21 23 29 24 25 23 21 24 25 27 25 23 21 23 27 25 25 22 25 21 25 31 19 23 21 22 20 21 20 21 21</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="31">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="31">Mo O Mo O Mo O Mo O Mo O O O O O O O O O O O O O O O Si O O Si O O H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="31">2.3047 -0.8782 2.0436 -0.9207 2.0768 -0.9486 2.1826 -0.9588 2.1228 -0.9386 -0.8282 -0.8274 -0.8337 -0.8392 -0.8119 -0.8114 -0.8422 -0.8488 -0.8259 -0.8174 -1.0743 -1.0004 -1.0392 -1.1388 1.7165 -1.0152 -1.1257 1.7204 -1.0797 -1.0037 0.2406</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="31">1.9897 1.9528 2.0300 1.9436 2.0324 1.9394 1.9988 1.9403 1.9997 1.9488 1.9530 1.9548 1.9520 1.9538 1.8837 1.9548 1.9555 1.9509 1.9548 1.9568 1.8994 1.8987 1.9083 1.8932 2.3666 1.9136 1.8945 2.3644 1.8979 1.8992 0.6397</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="31">6.0901 4.8959 6.1685 4.9511 6.1543 4.9822 6.1189 4.9903 6.1389 4.9613 4.8501 4.8455 4.8567 4.8587 4.8977 4.8299 4.8594 4.8731 4.8453 4.8328 5.1492 5.0778 5.1049 5.2261 7.3137 5.0732 5.2111 7.3104 5.1547 5.0795 0.1197</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="31">3.6155 0.0295 3.7579 0.0260 3.7364 0.0270 3.6997 0.0281 3.7386 0.0286 0.0251 0.0270 0.0250 0.0267 0.0305 0.0267 0.0273 0.0248 0.0259 0.0277 0.0257 0.0239 0.0260 0.0194 0.6032 0.0283 0.0201 0.6047 0.0271 0.0251 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="31">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="31">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="31">Mo O Mo O Mo O Mo O Mo O O O O O O O O O O O O O O O Si O O Si O O H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="31">3.166769 -1.158068 3.112954 -1.213377 3.138619 -1.226474 3.139641 -1.235187 3.111659 -1.215515 -1.120848 -1.119545 -1.126335 -1.132827 -0.744248 -1.069723 -1.134305 -1.136345 -1.114425 -1.102653 -1.180455 -1.157781 -1.137525 -1.205490 1.747115 -1.151522 -1.189132 1.742709 -1.172161 -1.149352 0.033825</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="31">2.330873 -0.937967 2.354120 -0.967772 2.370241 -1.008180 2.363245 -0.988630 2.337387 -0.957999 -0.948812 -0.921212 -0.952963 -0.932261 -0.922576 -0.877144 -0.935301 -0.964862 -0.934077 -0.898777 -0.939902 -0.984703 -0.821448 -1.210744 1.464654 -0.889730 -1.187793 1.464779 -0.864643 -0.975010 0.337208</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="31">2.452222 -0.987799 2.442084 -1.040100 2.471544 -1.052941 2.455235 -1.045774 2.431145 -1.050886 -0.960957 -0.905376 -0.967830 -0.912681 -0.907029 -0.884917 -0.941499 -0.947887 -0.933141 -0.895108 -0.988769 -1.036033 -0.879251 -1.188193 1.514727 -0.970633 -1.159621 1.516235 -0.953837 -1.018446 0.345516</array>
                  </list>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">1.47239786 -4.70008263 -8.12261191</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">9.49923978</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-17.91196580 25.03575337 11.19737599 9.43126825 4.22346192 8.48069755</array>
               </module>
               <module cmlx:templateRef="bonding.energy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-178.0738</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">227.2334</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">-11.5812</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-234.5999</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-69.4842</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-266.5056</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:47  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:47  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:47  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:48  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">Mar03-2024 17:52:48  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:49  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">Mar03-2024 17:52:50  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar03-2024 17:52:50  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">Mar03-2024 17:52:51  Nodes: 1  Procs: 24</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">*** (NO TITLE) ***</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-7</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.71843966</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.77480785</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.78123030</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.78410773</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.78869360</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.78921446</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.78975370</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79018229</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79104532</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79178787</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79260652</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79308727</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79330630</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79361809</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79371075</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79384186</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79384727</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79384990</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79384317</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79386725</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79388764</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.79390126</scalar>
                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
