<?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">Mar08-2024 20:34:22</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="156" startLine="154">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="159" startLine="158">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="167" startLine="161">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">0.34</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.02</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">Mar08-2024 20:34:22  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar08-2024 20:34:22  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">Mar08-2024 20:34:22</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">0.61</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.02</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">0.66</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">Mar08-2024 20:34:22  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar08-2024 20:34:22  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar08-2024 20:34:22  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar08-2024 20:34:23  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">Mar08-2024 20:34:24</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">0.74</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.03</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">0.81</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">Mar08-2024 20:34:22  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar08-2024 20:34:22  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar08-2024 20:34:22  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar08-2024 20:34:23  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">Mar08-2024 20:34:24  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar08-2024 20:34:24  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">Mar08-2024 20:34:25</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">0.45</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.03</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">Mar08-2024 20:34:22  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar08-2024 20:34:22  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar08-2024 20:34:22  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar08-2024 20:34:23  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">Mar08-2024 20:34:24  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar08-2024 20:34:24  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">Mar08-2024 20:34:25  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar08-2024 20:34:25  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">Mar08-2024 20:34:26</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="-0.0277"
                        y3="1.0978"
                        z3="-2.5184"/>
                  <atom elementType="O"
                        id="a2"
                        x3="1.1832"
                        y3="-0.3000"
                        z3="-2.7986"/>
                  <atom elementType="Mo"
                        id="a3"
                        x3="2.3059"
                        y3="-1.0977"
                        z3="-1.2906"/>
                  <atom elementType="O"
                        id="a4"
                        x3="2.4658"
                        y3="-1.4628"
                        z3="0.5948"/>
                  <atom elementType="Mo"
                        id="a5"
                        x3="1.5848"
                        y3="-1.1660"
                        z3="2.2926"/>
                  <atom elementType="O"
                        id="a6"
                        x3="0.0733"
                        y3="-0.2541"
                        z3="3.2789"/>
                  <atom elementType="Mo"
                        id="a7"
                        x3="-1.5726"
                        y3="0.1673"
                        z3="2.4630"/>
                  <atom elementType="O"
                        id="a8"
                        x3="-2.8697"
                        y3="0.4517"
                        z3="1.0269"/>
                  <atom elementType="Mo"
                        id="a9"
                        x3="-2.5157"
                        y3="1.7593"
                        z3="-0.3493"/>
                  <atom elementType="O"
                        id="a10"
                        x3="-1.1346"
                        y3="2.3886"
                        z3="-1.5240"/>
                  <atom elementType="O"
                        id="a11"
                        x3="1.0145"
                        y3="-2.7903"
                        z3="2.6201"/>
                  <atom elementType="O"
                        id="a12"
                        x3="2.9119"
                        y3="-1.0135"
                        z3="3.4093"/>
                  <atom elementType="O"
                        id="a13"
                        x3="3.6084"
                        y3="0.0566"
                        z3="-1.4989"/>
                  <atom elementType="O"
                        id="a14"
                        x3="2.9654"
                        y3="-2.5264"
                        z3="-2.0360"/>
                  <atom elementType="O"
                        id="a15"
                        x3="1.1488"
                        y3="2.5449"
                        z3="-3.0751"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-0.9941"
                        y3="0.9572"
                        z3="-3.9506"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-2.9873"
                        y3="3.2539"
                        z3="0.4189"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-3.8348"
                        y3="1.4172"
                        z3="-1.4399"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-2.1735"
                        y3="1.2861"
                        z3="3.6423"/>
                  <atom elementType="O"
                        id="a20"
                        x3="-2.5353"
                        y3="-1.4241"
                        z3="3.0459"/>
                  <atom elementType="O"
                        id="a21"
                        x3="-0.6193"
                        y3="1.6200"
                        z3="1.2204"/>
                  <atom elementType="O"
                        id="a22"
                        x3="1.7882"
                        y3="0.9270"
                        z3="1.7759"/>
                  <atom elementType="O"
                        id="a23"
                        x3="1.0990"
                        y3="0.9886"
                        z3="-0.6293"/>
                  <atom elementType="O"
                        id="a24"
                        x3="1.3173"
                        y3="3.2088"
                        z3="0.6942"/>
                  <atom elementType="Si"
                        id="a25"
                        x3="0.9361"
                        y3="1.7472"
                        z3="0.7545"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-1.2886"
                        y3="-0.1512"
                        z3="-1.3233"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-2.0923"
                        y3="-2.4728"
                        z3="-0.5996"/>
                  <atom elementType="Si"
                        id="a28"
                        x3="-0.9310"
                        y3="-1.5098"
                        z3="-0.5021"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-0.5631"
                        y3="-1.1088"
                        z3="0.9870"/>
                  <atom elementType="O"
                        id="a30"
                        x3="0.3924"
                        y3="-2.0744"
                        z3="-1.1169"/>
                  <atom elementType="H"
                        id="a31"
                        x3="-3.1551"
                        y3="-1.2262"
                        z3="3.7774"/>
                  <atom elementType="H"
                        id="a32"
                        x3="0.7660"
                        y3="3.0749"
                        z3="-3.8039"/>
               </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 a20" order="S"/>
                  <bond atomRefs2="a7 a29" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a17" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a15 a32" order="S"/>
                  <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">903.8572000000007</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0277,1.0978,-2.5184;1.1832,-.3,-2.7986;2.3059,-1.0977,-1.2906;2.4658,-1.4628,.5948;1.5848,-1.166,2.2926;.0733,-.2541,3.2789;-1.5726,.1673,2.463;-2.8697,.4517,1.0269;-2.5157,1.7593,-.3493;-1.1346,2.3886,-1.524;1.0145,-2.7903,2.6201;2.9119,-1.0135,3.4093;3.6084,.0566,-1.4989;2.9654,-2.5264,-2.036;1.1488,2.5449,-3.0751;-.9941,.9572,-3.9506;-2.9873,3.2539,.4189;-3.8348,1.4172,-1.4399;-2.1735,1.2861,3.6423;-2.5353,-1.4241,3.0459;-.6193,1.62,1.2204;1.7882,.927,1.7759;1.099,.9886,-.6293;1.3173,3.2088,.6942;.9361,1.7472,.7545;-1.2886,-.1512,-1.3233;-2.0923,-2.4728,-.5996;-.931,-1.5098,-.5021;-.5631,-1.1088,.987;.3924,-2.0744,-1.1169;-3.1551,-1.2262,3.7774;.766,3.0749,-3.8039;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="3417" startLine="3415">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="3421" startLine="3419">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="3430" startLine="3423">
                     <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">Mar08-2024 20:34:24</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">Mar08-2024 20:34:25</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">Mar08-2024 20:34:23</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">Mar08-2024 20:34:22</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">-9.73372079</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.17970788</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">0.05280020</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">0.17970788</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05280020</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.14033364</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">0.03055271</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="-0.033757"
                                 y3="1.089543"
                                 z3="-2.522399"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.185769"
                                 y3="-0.308859"
                                 z3="-2.823849"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.307743"
                                 y3="-1.100484"
                                 z3="-1.302155"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.467239"
                                 y3="-1.464483"
                                 z3="0.595105"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.58505"
                                 y3="-1.165006"
                                 z3="2.304561"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.075637"
                                 y3="-0.24825"
                                 z3="3.305306"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.568387"
                                 y3="0.17727"
                                 z3="2.466484"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.88181"
                                 y3="0.452516"
                                 z3="1.027552"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.51498"
                                 y3="1.758171"
                                 z3="-0.349497"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.140389"
                                 y3="2.398712"
                                 z3="-1.528406"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.003513"
                                 y3="-2.803811"
                                 z3="2.630167"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.932233"
                                 y3="-1.034336"
                                 z3="3.427956"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.618376"
                                 y3="0.069916"
                                 z3="-1.510336"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="2.995655"
                                 y3="-2.538641"
                                 z3="-2.046278"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.148727"
                                 y3="2.551958"
                                 z3="-3.089939"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.995481"
                                 y3="0.975289"
                                 z3="-3.988924"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-2.998992"
                                 y3="3.260381"
                                 z3="0.427347"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.843394"
                                 y3="1.420109"
                                 z3="-1.452184"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.199452"
                                 y3="1.285888"
                                 z3="3.675825"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.543953"
                                 y3="-1.423702"
                                 z3="3.062737"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.651552"
                                 y3="1.645183"
                                 z3="1.249046"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.83212"
                                 y3="0.90478"
                                 z3="1.833157"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.113421"
                                 y3="0.989997"
                                 z3="-0.674203"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.391554"
                                 y3="3.349127"
                                 z3="0.736156"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.954085"
                                 y3="1.78845"
                                 z3="0.763207"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.315288"
                                 y3="-0.137153"
                                 z3="-1.363057"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.177472"
                                 y3="-2.605109"
                                 z3="-0.641794"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.958467"
                                 y3="-1.544055"
                                 z3="-0.512646"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.570303"
                                 y3="-1.114571"
                                 z3="1.033678"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.442521"
                                 y3="-2.112769"
                                 z3="-1.156746"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.156863"
                                 y3="-1.214888"
                                 z3="3.795973"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.763296"
                                 y3="3.067631"
                                 z3="-3.826156"/>
                        </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="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0338,1.0895,-2.5224;1.1858,-.3089,-2.8238;2.3077,-1.1005,-1.3022;2.4672,-1.4645,.5951;1.5851,-1.165,2.3046;.0756,-.2482,3.3053;-1.5684,.1773,2.4665;-2.8818,.4525,1.0276;-2.515,1.7582,-.3495;-1.1404,2.3987,-1.5284;1.0035,-2.8038,2.6302;2.9322,-1.0343,3.428;3.6184,.0699,-1.5103;2.9957,-2.5386,-2.0463;1.1487,2.552,-3.0899;-.9955,.9753,-3.9889;-2.999,3.2604,.4273;-3.8434,1.4201,-1.4522;-2.1995,1.2859,3.6758;-2.544,-1.4237,3.0627;-.6516,1.6452,1.249;1.8321,.9048,1.8332;1.1134,.99,-.6742;1.3916,3.3491,.7362;.9541,1.7885,.7632;-1.3153,-.1372,-1.3631;-2.1775,-2.6051,-.6418;-.9585,-1.5441,-.5126;-.5703,-1.1146,1.0337;.4425,-2.1128,-1.1567;-3.1569,-1.2149,3.796;.7633,3.0676,-3.8262;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.78950181</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05556646</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">0.01757958</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">0.05556646</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01757958</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02133193</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">0.00881548</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="-0.036943"
                                 y3="1.08333"
                                 z3="-2.514489"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.181808"
                                 y3="-0.314896"
                                 z3="-2.834534"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.296607"
                                 y3="-1.110724"
                                 z3="-1.302531"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.471706"
                                 y3="-1.467577"
                                 z3="0.595682"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.590524"
                                 y3="-1.150836"
                                 z3="2.303824"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.077225"
                                 y3="-0.240647"
                                 z3="3.315772"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.561606"
                                 y3="0.181326"
                                 z3="2.459221"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.889756"
                                 y3="0.448231"
                                 z3="1.020975"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.515505"
                                 y3="1.758029"
                                 z3="-0.349612"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.142308"
                                 y3="2.408816"
                                 z3="-1.523406"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.010564"
                                 y3="-2.791517"
                                 z3="2.638305"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.937362"
                                 y3="-1.037954"
                                 z3="3.431003"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.611427"
                                 y3="0.058387"
                                 z3="-1.518188"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.001787"
                                 y3="-2.541075"
                                 z3="-2.047921"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.145194"
                                 y3="2.559319"
                                 z3="-3.085639"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.981966"
                                 y3="0.994508"
                                 z3="-3.995942"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.006511"
                                 y3="3.257532"
                                 z3="0.428552"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.843706"
                                 y3="1.42592"
                                 z3="-1.454542"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.21235"
                                 y3="1.266262"
                                 z3="3.682516"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.5496"
                                 y3="-1.42462"
                                 z3="3.05903"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.670656"
                                 y3="1.652136"
                                 z3="1.260072"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.839943"
                                 y3="0.893795"
                                 z3="1.83517"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.11015"
                                 y3="0.978963"
                                 z3="-0.693063"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.409516"
                                 y3="3.33363"
                                 z3="0.744955"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.949643"
                                 y3="1.782398"
                                 z3="0.757396"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.325716"
                                 y3="-0.123916"
                                 z3="-1.378811"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.15614"
                                 y3="-2.613217"
                                 z3="-0.641059"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.956614"
                                 y3="-1.535738"
                                 z3="-0.50662"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.566212"
                                 y3="-1.104789"
                                 z3="1.05347"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.454721"
                                 y3="-2.114983"
                                 z3="-1.155986"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.159694"
                                 y3="-1.202034"
                                 z3="3.790431"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.753504"
                                 y3="3.060741"
                                 z3="-3.828341"/>
                        </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="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0369,1.0833,-2.5145;1.1818,-.3149,-2.8345;2.2966,-1.1107,-1.3025;2.4717,-1.4676,.5957;1.5905,-1.1508,2.3038;.0772,-.2406,3.3158;-1.5616,.1813,2.4592;-2.8898,.4482,1.021;-2.5155,1.758,-.3496;-1.1423,2.4088,-1.5234;1.0106,-2.7915,2.6383;2.9374,-1.038,3.431;3.6114,.0584,-1.5182;3.0018,-2.5411,-2.0479;1.1452,2.5593,-3.0856;-.982,.9945,-3.9959;-3.0065,3.2575,.4286;-3.8437,1.4259,-1.4545;-2.2123,1.2663,3.6825;-2.5496,-1.4246,3.059;-.6707,1.6521,1.2601;1.8399,.8938,1.8352;1.1101,.979,-.6931;1.4095,3.3336,.745;.9496,1.7824,.7574;-1.3257,-.1239,-1.3788;-2.1561,-2.6132,-.6411;-.9566,-1.5357,-.5066;-.5662,-1.1048,1.0535;.4547,-2.115,-1.156;-3.1597,-1.202,3.7904;.7535,3.0607,-3.8283;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.79631339</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04339859</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">0.01211343</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">0.04339859</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01211343</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04399924</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">0.01778759</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="-0.040494"
                                 y3="1.063262"
                                 z3="-2.487625"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.172855"
                                 y3="-0.330705"
                                 z3="-2.853462"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.274025"
                                 y3="-1.133886"
                                 z3="-1.298744"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.486932"
                                 y3="-1.477805"
                                 z3="0.597456"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.604868"
                                 y3="-1.120882"
                                 z3="2.297321"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.084573"
                                 y3="-0.223218"
                                 z3="3.334754"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.536991"
                                 y3="0.188996"
                                 z3="2.437062"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.898529"
                                 y3="0.433534"
                                 z3="1.00197"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.512722"
                                 y3="1.754864"
                                 z3="-0.34866"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.139739"
                                 y3="2.426513"
                                 z3="-1.503051"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="1.013352"
                                 y3="-2.760901"
                                 z3="2.644308"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.947104"
                                 y3="-1.046467"
                                 z3="3.433434"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.586694"
                                 y3="0.043311"
                                 z3="-1.530104"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.013264"
                                 y3="-2.545028"
                                 z3="-2.048363"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.134283"
                                 y3="2.5742"
                                 z3="-3.057312"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.950609"
                                 y3="1.030812"
                                 z3="-3.994715"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.0165"
                                 y3="3.248409"
                                 z3="0.432768"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.839557"
                                 y3="1.434828"
                                 z3="-1.458488"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.229054"
                                 y3="1.222263"
                                 z3="3.68455"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.556726"
                                 y3="-1.425945"
                                 z3="3.033713"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.696896"
                                 y3="1.659801"
                                 z3="1.274437"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.841277"
                                 y3="0.868035"
                                 z3="1.824187"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.099429"
                                 y3="0.951104"
                                 z3="-0.718411"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.416349"
                                 y3="3.30195"
                                 z3="0.737738"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.942149"
                                 y3="1.769713"
                                 z3="0.740541"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.339642"
                                 y3="-0.103385"
                                 z3="-1.399043"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.12609"
                                 y3="-2.6048"
                                 z3="-0.621807"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.953626"
                                 y3="-1.518531"
                                 z3="-0.489423"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.551169"
                                 y3="-1.079894"
                                 z3="1.08079"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.473434"
                                 y3="-2.10186"
                                 z3="-1.141846"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.163198"
                                 y3="-1.169076"
                                 z3="3.756062"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.727356"
                                 y3="3.039588"
                                 z3="-3.814349"/>
                        </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="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0405,1.0633,-2.4876;1.1729,-.3307,-2.8535;2.274,-1.1339,-1.2987;2.4869,-1.4778,.5975;1.6049,-1.1209,2.2973;.0846,-.2232,3.3348;-1.537,.189,2.4371;-2.8985,.4335,1.002;-2.5127,1.7549,-.3487;-1.1397,2.4265,-1.5031;1.0134,-2.7609,2.6443;2.9471,-1.0465,3.4334;3.5867,.0433,-1.5301;3.0133,-2.545,-2.0484;1.1343,2.5742,-3.0573;-.9506,1.0308,-3.9947;-3.0165,3.2484,.4328;-3.8396,1.4348,-1.4585;-2.2291,1.2223,3.6846;-2.5567,-1.4259,3.0337;-.6969,1.6598,1.2744;1.8413,.868,1.8242;1.0994,.9511,-.7184;1.4163,3.302,.7377;.9421,1.7697,.7405;-1.3396,-.1034,-1.399;-2.1261,-2.6048,-.6218;-.9536,-1.5185,-.4894;-.5512,-1.0799,1.0808;.4734,-2.1019,-1.1418;-3.1632,-1.1691,3.7561;.7274,3.0396,-3.8143;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80250502</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02339099</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">0.00552964</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">0.02339099</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00552964</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03620508</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">0.01165569</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="-0.038765"
                                 y3="1.046491"
                                 z3="-2.466675"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.170052"
                                 y3="-0.338796"
                                 z3="-2.862278"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.270092"
                                 y3="-1.141337"
                                 z3="-1.297137"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.49911"
                                 y3="-1.484348"
                                 z3="0.598395"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.612271"
                                 y3="-1.111788"
                                 z3="2.294193"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.091362"
                                 y3="-0.215879"
                                 z3="3.345025"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.514059"
                                 y3="0.191789"
                                 z3="2.424142"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.890901"
                                 y3="0.418579"
                                 z3="0.988888"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.508723"
                                 y3="1.74936"
                                 z3="-0.346071"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.131454"
                                 y3="2.428777"
                                 z3="-1.481781"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.993843"
                                 y3="-2.745136"
                                 z3="2.633457"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.954362"
                                 y3="-1.047008"
                                 z3="3.43106"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.563406"
                                 y3="0.059035"
                                 z3="-1.528847"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.016923"
                                 y3="-2.548636"
                                 z3="-2.046366"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.126543"
                                 y3="2.577209"
                                 z3="-3.029549"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.94201"
                                 y3="1.041178"
                                 z3="-3.979958"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.019701"
                                 y3="3.240979"
                                 z3="0.438043"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.835407"
                                 y3="1.433708"
                                 z3="-1.460261"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.229252"
                                 y3="1.207882"
                                 z3="3.674849"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.555523"
                                 y3="-1.424961"
                                 z3="3.007582"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.69342"
                                 y3="1.659272"
                                 z3="1.27244"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.824552"
                                 y3="0.85576"
                                 z3="1.805523"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.094463"
                                 y3="0.93993"
                                 z3="-0.710986"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.416196"
                                 y3="3.299095"
                                 z3="0.722572"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.94453"
                                 y3="1.775721"
                                 z3="0.732558"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.338173"
                                 y3="-0.104853"
                                 z3="-1.392847"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.134676"
                                 y3="-2.592228"
                                 z3="-0.610659"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.959531"
                                 y3="-1.521471"
                                 z3="-0.480814"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.540115"
                                 y3="-1.0718"
                                 z3="1.076396"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.473459"
                                 y3="-2.07784"
                                 z3="-1.127161"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.163953"
                                 y3="-1.145425"
                                 z3="3.719857"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.7109"
                                 y3="3.015542"
                                 z3="-3.797901"/>
                        </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="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0388,1.0465,-2.4667;1.1701,-.3388,-2.8623;2.2701,-1.1413,-1.2971;2.4991,-1.4843,.5984;1.6123,-1.1118,2.2942;.0914,-.2159,3.345;-1.5141,.1918,2.4241;-2.8909,.4186,.9889;-2.5087,1.7494,-.3461;-1.1315,2.4288,-1.4818;.9938,-2.7451,2.6335;2.9544,-1.047,3.4311;3.5634,.059,-1.5288;3.0169,-2.5486,-2.0464;1.1265,2.5772,-3.0295;-.942,1.0412,-3.98;-3.0197,3.241,.438;-3.8354,1.4337,-1.4603;-2.2293,1.2079,3.6748;-2.5555,-1.425,3.0076;-.6934,1.6593,1.2724;1.8246,.8558,1.8055;1.0945,.9399,-.711;1.4162,3.2991,.7226;.9445,1.7757,.7326;-1.3382,-.1049,-1.3928;-2.1347,-2.5922,-.6107;-.9595,-1.5215,-.4808;-.5401,-1.0718,1.0764;.4735,-2.0778,-1.1272;-3.164,-1.1454,3.7199;.7109,3.0155,-3.7979;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80422785</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01309289</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">0.00300606</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">0.01309289</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00300606</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02544242</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">0.00817292</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="-0.038466"
                                 y3="1.034236"
                                 z3="-2.453252"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.168233"
                                 y3="-0.343129"
                                 z3="-2.869708"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.269815"
                                 y3="-1.144715"
                                 z3="-1.298768"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.507564"
                                 y3="-1.488643"
                                 z3="0.59824"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.616664"
                                 y3="-1.10862"
                                 z3="2.294012"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.095023"
                                 y3="-0.213337"
                                 z3="3.353099"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.497227"
                                 y3="0.194566"
                                 z3="2.417138"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.883212"
                                 y3="0.409217"
                                 z3="0.979787"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.507705"
                                 y3="1.746275"
                                 z3="-0.343998"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.125806"
                                 y3="2.428801"
                                 z3="-1.465108"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.979311"
                                 y3="-2.734756"
                                 z3="2.62604"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.957201"
                                 y3="-1.048841"
                                 z3="3.43233"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.547063"
                                 y3="0.069934"
                                 z3="-1.530798"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.019106"
                                 y3="-2.549274"
                                 z3="-2.049432"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.121485"
                                 y3="2.57696"
                                 z3="-3.010194"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.94189"
                                 y3="1.051054"
                                 z3="-3.967835"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.022963"
                                 y3="3.235912"
                                 z3="0.444681"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.832693"
                                 y3="1.434838"
                                 z3="-1.463546"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.231006"
                                 y3="1.20301"
                                 z3="3.664973"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.553328"
                                 y3="-1.421827"
                                 z3="2.991223"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.688015"
                                 y3="1.658633"
                                 z3="1.269827"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.810684"
                                 y3="0.847201"
                                 z3="1.793287"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.09106"
                                 y3="0.935868"
                                 z3="-0.704872"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.41598"
                                 y3="3.301559"
                                 z3="0.718763"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.946825"
                                 y3="1.780458"
                                 z3="0.72809"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.337481"
                                 y3="-0.107939"
                                 z3="-1.386851"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.134279"
                                 y3="-2.595328"
                                 z3="-0.605266"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.963305"
                                 y3="-1.524277"
                                 z3="-0.475455"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.534116"
                                 y3="-1.067219"
                                 z3="1.07125"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.472389"
                                 y3="-2.059219"
                                 z3="-1.116535"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.164356"
                                 y3="-1.125355"
                                 z3="3.694414"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.703844"
                                 y3="2.992758"
                                 z3="-3.789846"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0385,1.0342,-2.4533;1.1682,-.3431,-2.8697;2.2698,-1.1447,-1.2988;2.5076,-1.4886,.5982;1.6167,-1.1086,2.294;.095,-.2133,3.3531;-1.4972,.1946,2.4171;-2.8832,.4092,.9798;-2.5077,1.7463,-.344;-1.1258,2.4288,-1.4651;.9793,-2.7348,2.626;2.9572,-1.0488,3.4323;3.5471,.0699,-1.5308;3.0191,-2.5493,-2.0494;1.1215,2.577,-3.0102;-.9419,1.0511,-3.9678;-3.023,3.2359,.4447;-3.8327,1.4348,-1.4635;-2.231,1.203,3.665;-2.5533,-1.4218,2.9912;-.688,1.6586,1.2698;1.8107,.8472,1.7933;1.0911,.9359,-.7049;1.416,3.3016,.7188;.9468,1.7805,.7281;-1.3375,-.1079,-1.3869;-2.1343,-2.5953,-.6053;-.9633,-1.5243,-.4755;-.5341,-1.0672,1.0713;.4724,-2.0592,-1.1165;-3.1644,-1.1254,3.6944;.7038,2.9928,-3.7898;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80456600</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00796152</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">0.00190400</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">0.00796152</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00190400</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01573679</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">0.00392478</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="-0.040654"
                                 y3="1.029799"
                                 z3="-2.449967"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.167167"
                                 y3="-0.343108"
                                 z3="-2.873498"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.272372"
                                 y3="-1.144443"
                                 z3="-1.301791"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.510798"
                                 y3="-1.489833"
                                 z3="0.597532"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.617818"
                                 y3="-1.110413"
                                 z3="2.295762"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.094885"
                                 y3="-0.214335"
                                 z3="3.357214"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.49155"
                                 y3="0.197433"
                                 z3="2.417285"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.881243"
                                 y3="0.406842"
                                 z3="0.976847"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.511987"
                                 y3="1.7465"
                                 z3="-0.343242"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.126399"
                                 y3="2.428449"
                                 z3="-1.45839"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.975499"
                                 y3="-2.732751"
                                 z3="2.628064"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.956699"
                                 y3="-1.051782"
                                 z3="3.435659"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.54499"
                                 y3="0.07205"
                                 z3="-1.537599"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.020958"
                                 y3="-2.547482"
                                 z3="-2.055192"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.120346"
                                 y3="2.573862"
                                 z3="-3.004311"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.94778"
                                 y3="1.059715"
                                 z3="-3.962449"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.0295"
                                 y3="3.23339"
                                 z3="0.450391"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.833481"
                                 y3="1.437115"
                                 z3="-1.468312"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.2360"
                                 y3="1.207315"
                                 z3="3.658081"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.549216"
                                 y3="-1.418588"
                                 z3="2.990997"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.685758"
                                 y3="1.660365"
                                 z3="1.269985"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.807699"
                                 y3="0.843877"
                                 z3="1.792655"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.090078"
                                 y3="0.939809"
                                 z3="-0.704626"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.420414"
                                 y3="3.303334"
                                 z3="0.726891"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.947439"
                                 y3="1.781517"
                                 z3="0.728843"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.339098"
                                 y3="-0.110397"
                                 z3="-1.384962"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.128499"
                                 y3="-2.603332"
                                 z3="-0.60971"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.962321"
                                 y3="-1.525209"
                                 z3="-0.47542"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.535657"
                                 y3="-1.066513"
                                 z3="1.070114"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.474457"
                                 y3="-2.055582"
                                 z3="-1.115669"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.164228"
                                 y3="-1.115823"
                                 z3="3.688082"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.708153"
                                 y3="2.977021"
                                 z3="-3.793578"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0407,1.0298,-2.45;1.1672,-.3431,-2.8735;2.2724,-1.1444,-1.3018;2.5108,-1.4898,.5975;1.6178,-1.1104,2.2958;.0949,-.2143,3.3572;-1.4915,.1974,2.4173;-2.8812,.4068,.9768;-2.512,1.7465,-.3432;-1.1264,2.4284,-1.4584;.9755,-2.7328,2.6281;2.9567,-1.0518,3.4357;3.545,.0721,-1.5376;3.021,-2.5475,-2.0552;1.1203,2.5739,-3.0043;-.9478,1.0597,-3.9624;-3.0295,3.2334,.4504;-3.8335,1.4371,-1.4683;-2.236,1.2073,3.6581;-2.5492,-1.4186,2.991;-.6858,1.6604,1.27;1.8077,.8439,1.7927;1.0901,.9398,-.7046;1.4204,3.3033,.7269;.9474,1.7815,.7288;-1.3391,-.1104,-1.385;-2.1285,-2.6033,-.6097;-.9623,-1.5252,-.4754;-.5357,-1.0665,1.0701;.4745,-2.0556,-1.1157;-3.1642,-1.1158,3.6881;.7082,2.977,-3.7936;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80479422</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00754234</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">0.00145833</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">0.00754234</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00145833</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02934065</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">0.00693926</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="-0.045156"
                                 y3="1.023679"
                                 z3="-2.444652"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.164693"
                                 y3="-0.342269"
                                 z3="-2.878042"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.276604"
                                 y3="-1.145397"
                                 z3="-1.306113"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.516836"
                                 y3="-1.492029"
                                 z3="0.59574"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.6220"
                                 y3="-1.113097"
                                 z3="2.297073"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.095662"
                                 y3="-0.215996"
                                 z3="3.362832"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.48206"
                                 y3="0.20276"
                                 z3="2.419123"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.879412"
                                 y3="0.403192"
                                 z3="0.972119"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.523091"
                                 y3="1.747434"
                                 z3="-0.341836"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.13057"
                                 y3="2.428394"
                                 z3="-1.446514"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.972903"
                                 y3="-2.730925"
                                 z3="2.630179"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.959156"
                                 y3="-1.05576"
                                 z3="3.437928"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.54364"
                                 y3="0.07445"
                                 z3="-1.545531"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.023968"
                                 y3="-2.546418"
                                 z3="-2.062643"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.11864"
                                 y3="2.569535"
                                 z3="-2.99482"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.956984"
                                 y3="1.077477"
                                 z3="-3.953768"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.046277"
                                 y3="3.227401"
                                 z3="0.461641"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.836306"
                                 y3="1.441543"
                                 z3="-1.478032"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.245871"
                                 y3="1.216056"
                                 z3="3.645301"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.541178"
                                 y3="-1.413027"
                                 z3="2.993327"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.682689"
                                 y3="1.664755"
                                 z3="1.27318"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.807874"
                                 y3="0.839808"
                                 z3="1.793039"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.088491"
                                 y3="0.949259"
                                 z3="-0.705003"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.428292"
                                 y3="3.304314"
                                 z3="0.740375"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.947921"
                                 y3="1.783231"
                                 z3="0.731759"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.341736"
                                 y3="-0.115143"
                                 z3="-1.383173"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.122039"
                                 y3="-2.612029"
                                 z3="-0.617065"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.96007"
                                 y3="-1.527665"
                                 z3="-0.476255"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.539849"
                                 y3="-1.066023"
                                 z3="1.068978"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.478856"
                                 y3="-2.055073"
                                 z3="-1.116155"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.167196"
                                 y3="-1.101318"
                                 z3="3.676666"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.721345"
                                 y3="2.94768"
                                 z3="-3.80397"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0452,1.0237,-2.4447;1.1647,-.3423,-2.878;2.2766,-1.1454,-1.3061;2.5168,-1.492,.5957;1.622,-1.1131,2.2971;.0957,-.216,3.3628;-1.4821,.2028,2.4191;-2.8794,.4032,.9721;-2.5231,1.7474,-.3418;-1.1306,2.4284,-1.4465;.9729,-2.7309,2.6302;2.9592,-1.0558,3.4379;3.5436,.0745,-1.5455;3.024,-2.5464,-2.0626;1.1186,2.5695,-2.9948;-.957,1.0775,-3.9538;-3.0463,3.2274,.4616;-3.8363,1.4415,-1.478;-2.2459,1.2161,3.6453;-2.5412,-1.413,2.9933;-.6827,1.6648,1.2732;1.8079,.8398,1.793;1.0885,.9493,-.705;1.4283,3.3043,.7404;.9479,1.7832,.7318;-1.3417,-.1151,-1.3832;-2.122,-2.612,-.6171;-.9601,-1.5277,-.4763;-.5398,-1.066,1.069;.4789,-2.0551,-1.1162;-3.1672,-1.1013,3.6767;.7213,2.9477,-3.804;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80520156</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00536640</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">0.00118414</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">0.00536640</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00118414</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01742100</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">0.00457530</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="-0.047901"
                                 y3="1.021328"
                                 z3="-2.440854"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.16224"
                                 y3="-0.341962"
                                 z3="-2.87851"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.27778"
                                 y3="-1.148339"
                                 z3="-1.307266"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.521182"
                                 y3="-1.493687"
                                 z3="0.594172"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.627323"
                                 y3="-1.113491"
                                 z3="2.295483"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.097765"
                                 y3="-0.216864"
                                 z3="3.364767"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.47554"
                                 y3="0.205748"
                                 z3="2.420724"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.878553"
                                 y3="0.401795"
                                 z3="0.969002"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.532174"
                                 y3="1.748535"
                                 z3="-0.340945"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.135711"
                                 y3="2.429103"
                                 z3="-1.43918"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.975128"
                                 y3="-2.730136"
                                 z3="2.628278"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.964009"
                                 y3="-1.057077"
                                 z3="3.435921"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.542572"
                                 y3="0.073547"
                                 z3="-1.54723"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.024686"
                                 y3="-2.548271"
                                 z3="-2.064591"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.117435"
                                 y3="2.569391"
                                 z3="-2.988073"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.958763"
                                 y3="1.089447"
                                 z3="-3.950035"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.060328"
                                 y3="3.223221"
                                 z3="0.469013"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.83949"
                                 y3="1.44416"
                                 z3="-1.484563"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.251116"
                                 y3="1.220106"
                                 z3="3.638139"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.537232"
                                 y3="-1.4100"
                                 z3="2.994183"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.680344"
                                 y3="1.668359"
                                 z3="1.278155"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.81104"
                                 y3="0.838812"
                                 z3="1.792765"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.087512"
                                 y3="0.956529"
                                 z3="-0.704874"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.432933"
                                 y3="3.305578"
                                 z3="0.746812"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.948689"
                                 y3="1.785891"
                                 z3="0.734319"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.342934"
                                 y3="-0.118731"
                                 z3="-1.38446"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.12022"
                                 y3="-2.616395"
                                 z3="-0.61585"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.960113"
                                 y3="-1.530106"
                                 z3="-0.476625"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.542229"
                                 y3="-1.065552"
                                 z3="1.067942"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.480434"
                                 y3="-2.058079"
                                 z3="-1.115186"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.174293"
                                 y3="-1.094321"
                                 z3="3.66537"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.732611"
                                 y3="2.930259"
                                 z3="-3.811116"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0479,1.0213,-2.4409;1.1622,-.342,-2.8785;2.2778,-1.1483,-1.3073;2.5212,-1.4937,.5942;1.6273,-1.1135,2.2955;.0978,-.2169,3.3648;-1.4755,.2057,2.4207;-2.8786,.4018,.969;-2.5322,1.7485,-.3409;-1.1357,2.4291,-1.4392;.9751,-2.7301,2.6283;2.964,-1.0571,3.4359;3.5426,.0735,-1.5472;3.0247,-2.5483,-2.0646;1.1174,2.5694,-2.9881;-.9588,1.0894,-3.95;-3.0603,3.2232,.469;-3.8395,1.4442,-1.4846;-2.2511,1.2201,3.6381;-2.5372,-1.41,2.9942;-.6803,1.6684,1.2782;1.811,.8388,1.7928;1.0875,.9565,-.7049;1.4329,3.3056,.7468;.9487,1.7859,.7343;-1.3429,-.1187,-1.3845;-2.1202,-2.6164,-.6159;-.9601,-1.5301,-.4766;-.5422,-1.0656,1.0679;.4804,-2.0581,-1.1152;-3.1743,-1.0943,3.6654;.7326,2.9303,-3.8111;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80539764</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00399876</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">0.00105930</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">0.00399876</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00105930</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01893367</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">0.00599491</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="-0.050817"
                                 y3="1.019845"
                                 z3="-2.435963"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.15854"
                                 y3="-0.342513"
                                 z3="-2.876602"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.277974"
                                 y3="-1.154616"
                                 z3="-1.307702"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.526638"
                                 y3="-1.495814"
                                 z3="0.592031"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.636449"
                                 y3="-1.112573"
                                 z3="2.291878"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.10198"
                                 y3="-0.21777"
                                 z3="3.366049"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.467351"
                                 y3="0.208597"
                                 z3="2.423524"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.877673"
                                 y3="0.401799"
                                 z3="0.965748"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.544733"
                                 y3="1.750302"
                                 z3="-0.339671"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.144395"
                                 y3="2.429615"
                                 z3="-1.431048"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.98159"
                                 y3="-2.728576"
                                 z3="2.624277"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.973372"
                                 y3="-1.05765"
                                 z3="3.430966"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.540861"
                                 y3="0.06934"
                                 z3="-1.547566"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.025048"
                                 y3="-2.553334"
                                 z3="-2.065217"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.115074"
                                 y3="2.572177"
                                 z3="-2.979408"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.955868"
                                 y3="1.102464"
                                 z3="-3.94811"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.079262"
                                 y3="3.219147"
                                 z3="0.47706"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.845046"
                                 y3="1.446708"
                                 z3="-1.49149"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.255601"
                                 y3="1.222763"
                                 z3="3.632397"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.534692"
                                 y3="-1.406577"
                                 z3="2.994101"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.67622"
                                 y3="1.673058"
                                 z3="1.287808"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.817318"
                                 y3="0.839067"
                                 z3="1.791511"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.086243"
                                 y3="0.965824"
                                 z3="-0.704116"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.436447"
                                 y3="3.308714"
                                 z3="0.752859"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.950382"
                                 y3="1.790365"
                                 z3="0.73779"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.34302"
                                 y3="-0.124166"
                                 z3="-1.38863"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.120395"
                                 y3="-2.619897"
                                 z3="-0.612154"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.961282"
                                 y3="-1.533557"
                                 z3="-0.476437"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.544251"
                                 y3="-1.064459"
                                 z3="1.066726"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.480979"
                                 y3="-2.06401"
                                 z3="-1.112585"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.188996"
                                 y3="-1.087446"
                                 z3="3.64669"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.74711"
                                 y3="2.911974"
                                 z3="-3.819026"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0508,1.0198,-2.436;1.1585,-.3425,-2.8766;2.278,-1.1546,-1.3077;2.5266,-1.4958,.592;1.6364,-1.1126,2.2919;.102,-.2178,3.366;-1.4674,.2086,2.4235;-2.8777,.4018,.9657;-2.5447,1.7503,-.3397;-1.1444,2.4296,-1.431;.9816,-2.7286,2.6243;2.9734,-1.0576,3.431;3.5409,.0693,-1.5476;3.025,-2.5533,-2.0652;1.1151,2.5722,-2.9794;-.9559,1.1025,-3.9481;-3.0793,3.2191,.4771;-3.845,1.4467,-1.4915;-2.2556,1.2228,3.6324;-2.5347,-1.4066,2.9941;-.6762,1.6731,1.2878;1.8173,.8391,1.7915;1.0862,.9658,-.7041;1.4364,3.3087,.7529;.9504,1.7904,.7378;-1.343,-.1242,-1.3886;-2.1204,-2.6199,-.6122;-.9613,-1.5336,-.4764;-.5443,-1.0645,1.0667;.481,-2.064,-1.1126;-3.189,-1.0874,3.6467;.7471,2.912,-3.819;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80563876</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00349594</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">0.00097805</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">0.00349594</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00097805</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01951051</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">0.00552028</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="-0.052485"
                                 y3="1.019703"
                                 z3="-2.431762"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.15533"
                                 y3="-0.344064"
                                 z3="-2.872899"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.277268"
                                 y3="-1.162497"
                                 z3="-1.308043"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.530891"
                                 y3="-1.49796"
                                 z3="0.590138"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.645887"
                                 y3="-1.11081"
                                 z3="2.288131"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.106824"
                                 y3="-0.218095"
                                 z3="3.366557"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.460473"
                                 y3="0.210273"
                                 z3="2.426505"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.876802"
                                 y3="0.403767"
                                 z3="0.963657"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.556438"
                                 y3="1.751813"
                                 z3="-0.338824"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.153691"
                                 y3="2.428607"
                                 z3="-1.425757"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.988798"
                                 y3="-2.726074"
                                 z3="2.620858"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.98364"
                                 y3="-1.05759"
                                 z3="3.425664"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.538882"
                                 y3="0.062638"
                                 z3="-1.548203"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.024761"
                                 y3="-2.56045"
                                 z3="-2.065417"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.112092"
                                 y3="2.577408"
                                 z3="-2.971323"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.948227"
                                 y3="1.110421"
                                 z3="-3.949334"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.096192"
                                 y3="3.217116"
                                 z3="0.481009"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.851851"
                                 y3="1.44677"
                                 z3="-1.49573"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.257243"
                                 y3="1.222537"
                                 z3="3.631074"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.534207"
                                 y3="-1.403732"
                                 z3="2.992926"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.671156"
                                 y3="1.677477"
                                 z3="1.299222"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.823525"
                                 y3="0.840183"
                                 z3="1.789629"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.085182"
                                 y3="0.973596"
                                 z3="-0.702582"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.438172"
                                 y3="3.31327"
                                 z3="0.757343"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.952837"
                                 y3="1.795474"
                                 z3="0.740968"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.341217"
                                 y3="-0.130112"
                                 z3="-1.394693"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.122851"
                                 y3="-2.621006"
                                 z3="-0.608646"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.962971"
                                 y3="-1.536625"
                                 z3="-0.475652"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.544787"
                                 y3="-1.062592"
                                 z3="1.065559"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.480336"
                                 y3="-2.070135"
                                 z3="-1.109144"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.205111"
                                 y3="-1.082445"
                                 z3="3.62718"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.757676"
                                 y3="2.901934"
                                 z3="-3.822722"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0525,1.0197,-2.4318;1.1553,-.3441,-2.8729;2.2773,-1.1625,-1.308;2.5309,-1.498,.5901;1.6459,-1.1108,2.2881;.1068,-.2181,3.3666;-1.4605,.2103,2.4265;-2.8768,.4038,.9637;-2.5564,1.7518,-.3388;-1.1537,2.4286,-1.4258;.9888,-2.7261,2.6209;2.9836,-1.0576,3.4257;3.5389,.0626,-1.5482;3.0248,-2.5604,-2.0654;1.1121,2.5774,-2.9713;-.9482,1.1104,-3.9493;-3.0962,3.2171,.481;-3.8519,1.4468,-1.4957;-2.2572,1.2225,3.6311;-2.5342,-1.4037,2.9929;-.6712,1.6775,1.2992;1.8235,.8402,1.7896;1.0852,.9736,-.7026;1.4382,3.3133,.7573;.9528,1.7955,.741;-1.3412,-.1301,-1.3947;-2.1229,-2.621,-.6086;-.963,-1.5366,-.4757;-.5448,-1.0626,1.0656;.4803,-2.0701,-1.1091;-3.2051,-1.0824,3.6272;.7577,2.9019,-3.8227;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80579730</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00358060</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">0.00098398</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">0.00358060</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00098398</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01839808</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">0.00527679</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="-0.052813"
                                 y3="1.020654"
                                 z3="-2.428974"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.153574"
                                 y3="-0.347485"
                                 z3="-2.867196"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.276913"
                                 y3="-1.171217"
                                 z3="-1.310081"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.533278"
                                 y3="-1.49988"
                                 z3="0.588752"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.654068"
                                 y3="-1.108948"
                                 z3="2.285637"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.111716"
                                 y3="-0.217887"
                                 z3="3.366975"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.456159"
                                 y3="0.210618"
                                 z3="2.429935"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.875974"
                                 y3="0.410534"
                                 z3="0.964403"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.566907"
                                 y3="1.753704"
                                 z3="-0.338996"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.163529"
                                 y3="2.424046"
                                 z3="-1.426093"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.992763"
                                 y3="-2.721947"
                                 z3="2.620062"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="2.993064"
                                 y3="-1.058376"
                                 z3="3.42212"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.536598"
                                 y3="0.056039"
                                 z3="-1.551545"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.026013"
                                 y3="-2.568675"
                                 z3="-2.067033"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.108642"
                                 y3="2.583915"
                                 z3="-2.964379"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.934767"
                                 y3="1.109329"
                                 z3="-3.955229"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.106259"
                                 y3="3.221891"
                                 z3="0.475987"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.862146"
                                 y3="1.443376"
                                 z3="-1.494264"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.254028"
                                 y3="1.218389"
                                 z3="3.638051"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.535994"
                                 y3="-1.401554"
                                 z3="2.989856"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.665328"
                                 y3="1.681448"
                                 z3="1.313408"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.828423"
                                 y3="0.840716"
                                 z3="1.787514"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.081997"
                                 y3="0.977126"
                                 z3="-0.699417"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.438042"
                                 y3="3.317362"
                                 z3="0.759987"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.95515"
                                 y3="1.79902"
                                 z3="0.743935"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.337531"
                                 y3="-0.13711"
                                 z3="-1.403672"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.124637"
                                 y3="-2.620874"
                                 z3="-0.609101"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.96376"
                                 y3="-1.538049"
                                 z3="-0.474153"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.54325"
                                 y3="-1.058561"
                                 z3="1.064522"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.480218"
                                 y3="-2.074265"
                                 z3="-1.104729"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.220127"
                                 y3="-1.078702"
                                 z3="3.608782"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.759152"
                                 y3="2.904163"
                                 z3="-3.819376"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0528,1.0207,-2.429;1.1536,-.3475,-2.8672;2.2769,-1.1712,-1.3101;2.5333,-1.4999,.5888;1.6541,-1.1089,2.2856;.1117,-.2179,3.367;-1.4562,.2106,2.4299;-2.876,.4105,.9644;-2.5669,1.7537,-.339;-1.1635,2.424,-1.4261;.9928,-2.7219,2.6201;2.9931,-1.0584,3.4221;3.5366,.056,-1.5515;3.026,-2.5687,-2.067;1.1086,2.5839,-2.9644;-.9348,1.1093,-3.9552;-3.1063,3.2219,.476;-3.8621,1.4434,-1.4943;-2.254,1.2184,3.6381;-2.536,-1.4016,2.9899;-.6653,1.6814,1.3134;1.8284,.8407,1.7875;1.082,.9771,-.6994;1.438,3.3174,.76;.9552,1.799,.7439;-1.3375,-.1371,-1.4037;-2.1246,-2.6209,-.6091;-.9638,-1.538,-.4742;-.5433,-1.0586,1.0645;.4802,-2.0743,-1.1047;-3.2201,-1.0787,3.6088;.7592,2.9042,-3.8194;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80599293</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00438617</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">0.00081017</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">0.00438617</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00081017</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01960334</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">0.00600073</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="-0.053782"
                                 y3="1.020351"
                                 z3="-2.426021"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.153082"
                                 y3="-0.351488"
                                 z3="-2.861701"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.277328"
                                 y3="-1.180634"
                                 z3="-1.314566"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.53624"
                                 y3="-1.502838"
                                 z3="0.587026"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.662071"
                                 y3="-1.107824"
                                 z3="2.283865"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.116888"
                                 y3="-0.217252"
                                 z3="3.367904"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.45061"
                                 y3="0.212304"
                                 z3="2.433192"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.874707"
                                 y3="0.419815"
                                 z3="0.96556"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.580374"
                                 y3="1.756536"
                                 z3="-0.34042"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.175027"
                                 y3="2.416977"
                                 z3="-1.428102"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.992619"
                                 y3="-2.716368"
                                 z3="2.621076"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.001624"
                                 y3="-1.061049"
                                 z3="3.420023"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.532724"
                                 y3="0.050459"
                                 z3="-1.556053"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.028097"
                                 y3="-2.577262"
                                 z3="-2.071114"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.105509"
                                 y3="2.589031"
                                 z3="-2.954119"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.9208"
                                 y3="1.109305"
                                 z3="-3.961315"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.11588"
                                 y3="3.230684"
                                 z3="0.465931"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.877177"
                                 y3="1.438498"
                                 z3="-1.491158"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.251699"
                                 y3="1.213398"
                                 z3="3.645065"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.535096"
                                 y3="-1.399411"
                                 z3="2.983819"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.659057"
                                 y3="1.687373"
                                 z3="1.329187"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.832464"
                                 y3="0.839687"
                                 z3="1.785916"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.07661"
                                 y3="0.980939"
                                 z3="-0.695788"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.440767"
                                 y3="3.32044"
                                 z3="0.764804"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.957025"
                                 y3="1.8020"
                                 z3="0.747579"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.335308"
                                 y3="-0.146054"
                                 z3="-1.414777"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.123711"
                                 y3="-2.622836"
                                 z3="-0.605871"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.963304"
                                 y3="-1.538773"
                                 z3="-0.473427"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.541382"
                                 y3="-1.05157"
                                 z3="1.061671"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.48195"
                                 y3="-2.077686"
                                 z3="-1.100178"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.230361"
                                 y3="-1.074711"
                                 z3="3.589178"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.759675"
                                 y3="2.90676"
                                 z3="-3.811499"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0538,1.0204,-2.426;1.1531,-.3515,-2.8617;2.2773,-1.1806,-1.3146;2.5362,-1.5028,.587;1.6621,-1.1078,2.2839;.1169,-.2173,3.3679;-1.4506,.2123,2.4332;-2.8747,.4198,.9656;-2.5804,1.7565,-.3404;-1.175,2.417,-1.4281;.9926,-2.7164,2.6211;3.0016,-1.061,3.42;3.5327,.0505,-1.5561;3.0281,-2.5773,-2.0711;1.1055,2.589,-2.9541;-.9208,1.1093,-3.9613;-3.1159,3.2307,.4659;-3.8772,1.4385,-1.4912;-2.2517,1.2134,3.6451;-2.5351,-1.3994,2.9838;-.6591,1.6874,1.3292;1.8325,.8397,1.7859;1.0766,.9809,-.6958;1.4408,3.3204,.7648;.957,1.802,.7476;-1.3353,-.1461,-1.4148;-2.1237,-2.6228,-.6059;-.9633,-1.5388,-.4734;-.5414,-1.0516,1.0617;.4819,-2.0777,-1.1002;-3.2304,-1.0747,3.5892;.7597,2.9068,-3.8115;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80624526</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00375830</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">0.00074206</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">0.00375830</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00074206</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01755402</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">0.00599632</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="-0.055526"
                                 y3="1.018161"
                                 z3="-2.423056"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.154292"
                                 y3="-0.354701"
                                 z3="-2.85767"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.278338"
                                 y3="-1.189004"
                                 z3="-1.319803"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.539699"
                                 y3="-1.506795"
                                 z3="0.585244"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.668866"
                                 y3="-1.107797"
                                 z3="2.282245"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.12167"
                                 y3="-0.216625"
                                 z3="3.36934"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.443743"
                                 y3="0.215847"
                                 z3="2.435972"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.873448"
                                 y3="0.429586"
                                 z3="0.966397"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.595577"
                                 y3="1.759868"
                                 z3="-0.342878"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.186897"
                                 y3="2.409183"
                                 z3="-1.430399"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.989082"
                                 y3="-2.711129"
                                 z3="2.621883"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.008558"
                                 y3="-1.065328"
                                 z3="3.418346"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.5288"
                                 y3="0.047038"
                                 z3="-1.55828"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.031061"
                                 y3="-2.584314"
                                 z3="-2.076232"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.103453"
                                 y3="2.591371"
                                 z3="-2.941669"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.909751"
                                 y3="1.112874"
                                 z3="-3.96553"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.126292"
                                 y3="3.240323"
                                 z3="0.454467"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.894731"
                                 y3="1.433955"
                                 z3="-1.48835"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.251821"
                                 y3="1.210273"
                                 z3="3.649054"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.530731"
                                 y3="-1.397329"
                                 z3="2.976704"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.653374"
                                 y3="1.69502"
                                 z3="1.343351"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.835845"
                                 y3="0.8375"
                                 z3="1.784839"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.069736"
                                 y3="0.98581"
                                 z3="-0.692557"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.446874"
                                 y3="3.322053"
                                 z3="0.770719"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.958409"
                                 y3="1.804682"
                                 z3="0.751477"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.335938"
                                 y3="-0.156011"
                                 z3="-1.425688"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.120702"
                                 y3="-2.627279"
                                 z3="-0.600517"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.962542"
                                 y3="-1.539726"
                                 z3="-0.473621"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.540699"
                                 y3="-1.0431"
                                 z3="1.057627"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.484594"
                                 y3="-2.080566"
                                 z3="-1.096481"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.233334"
                                 y3="-1.071259"
                                 z3="3.572787"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.762226"
                                 y3="2.906218"
                                 z3="-3.802032"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0555,1.0182,-2.4231;1.1543,-.3547,-2.8577;2.2783,-1.189,-1.3198;2.5397,-1.5068,.5852;1.6689,-1.1078,2.2822;.1217,-.2166,3.3693;-1.4437,.2158,2.436;-2.8734,.4296,.9664;-2.5956,1.7599,-.3429;-1.1869,2.4092,-1.4304;.9891,-2.7111,2.6219;3.0086,-1.0653,3.4183;3.5288,.047,-1.5583;3.0311,-2.5843,-2.0762;1.1035,2.5914,-2.9417;-.9098,1.1129,-3.9655;-3.1263,3.2403,.4545;-3.8947,1.434,-1.4884;-2.2518,1.2103,3.6491;-2.5307,-1.3973,2.9767;-.6534,1.695,1.3434;1.8358,.8375,1.7848;1.0697,.9858,-.6926;1.4469,3.3221,.7707;.9584,1.8047,.7515;-1.3359,-.156,-1.4257;-2.1207,-2.6273,-.6005;-.9625,-1.5397,-.4736;-.5407,-1.0431,1.0576;.4846,-2.0806,-1.0965;-3.2333,-1.0713,3.5728;.7622,2.9062,-3.802;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80649706</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00261919</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">0.00076261</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">0.00261919</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00076261</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02496936</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">0.00823887</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="-0.058538"
                                 y3="1.013297"
                                 z3="-2.419023"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.157374"
                                 y3="-0.358166"
                                 z3="-2.853398"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.279973"
                                 y3="-1.198925"
                                 z3="-1.326377"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.544831"
                                 y3="-1.513007"
                                 z3="0.583033"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.677015"
                                 y3="-1.108672"
                                 z3="2.27947"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.127693"
                                 y3="-0.216279"
                                 z3="3.371675"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.433209"
                                 y3="0.222206"
                                 z3="2.439313"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.872172"
                                 y3="0.443685"
                                 z3="0.966921"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.61737"
                                 y3="1.765334"
                                 z3="-0.347125"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.203282"
                                 y3="2.3989"
                                 z3="-1.43362"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.982638"
                                 y3="-2.705027"
                                 z3="2.621198"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.016735"
                                 y3="-1.072797"
                                 z3="3.415429"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.524506"
                                 y3="0.04395"
                                 z3="-1.557073"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.036042"
                                 y3="-2.591659"
                                 z3="-2.083058"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.101639"
                                 y3="2.591502"
                                 z3="-2.924552"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.898269"
                                 y3="1.120756"
                                 z3="-3.968875"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.141999"
                                 y3="3.253547"
                                 z3="0.439155"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.919701"
                                 y3="1.429274"
                                 z3="-1.485752"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.255025"
                                 y3="1.207074"
                                 z3="3.651095"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.52256"
                                 y3="-1.394822"
                                 z3="2.965903"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.645979"
                                 y3="1.707436"
                                 z3="1.361361"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.840673"
                                 y3="0.833874"
                                 z3="1.783435"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.058736"
                                 y3="0.994024"
                                 z3="-0.688583"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.458605"
                                 y3="3.323369"
                                 z3="0.779463"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.960302"
                                 y3="1.808804"
                                 z3="0.757299"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.339483"
                                 y3="-0.170287"
                                 z3="-1.439935"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.11518"
                                 y3="-2.635602"
                                 z3="-0.591838"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.961863"
                                 y3="-1.54165"
                                 z3="-0.474614"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.541358"
                                 y3="-1.030428"
                                 z3="1.051259"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.488577"
                                 y3="-2.084312"
                                 z3="-1.09177"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.230736"
                                 y3="-1.067996"
                                 z3="3.55503"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.767784"
                                 y3="2.901397"
                                 z3="-3.789758"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0585,1.0133,-2.419;1.1574,-.3582,-2.8534;2.28,-1.1989,-1.3264;2.5448,-1.513,.583;1.677,-1.1087,2.2795;.1277,-.2163,3.3717;-1.4332,.2222,2.4393;-2.8722,.4437,.9669;-2.6174,1.7653,-.3471;-1.2033,2.3989,-1.4336;.9826,-2.705,2.6212;3.0167,-1.0728,3.4154;3.5245,.044,-1.5571;3.036,-2.5917,-2.0831;1.1016,2.5915,-2.9246;-.8983,1.1208,-3.9689;-3.142,3.2535,.4392;-3.9197,1.4293,-1.4858;-2.255,1.2071,3.6511;-2.5226,-1.3948,2.9659;-.646,1.7074,1.3614;1.8407,.8339,1.7834;1.0587,.994,-.6886;1.4586,3.3234,.7795;.9603,1.8088,.7573;-1.3395,-.1703,-1.4399;-2.1152,-2.6356,-.5918;-.9619,-1.5416,-.4746;-.5414,-1.0304,1.0513;.4886,-2.0843,-1.0918;-3.2307,-1.068,3.555;.7678,2.9014,-3.7898;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80675808</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00297951</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">0.00082944</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">0.00297951</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00082944</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02908125</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">0.00950712</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="-0.061792"
                                 y3="1.00596"
                                 z3="-2.415233"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.16351"
                                 y3="-0.360534"
                                 z3="-2.849668"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.282105"
                                 y3="-1.207331"
                                 z3="-1.331714"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.550077"
                                 y3="-1.521295"
                                 z3="0.581526"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.684014"
                                 y3="-1.111321"
                                 z3="2.275399"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.133411"
                                 y3="-0.21716"
                                 z3="3.374783"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.420802"
                                 y3="0.230524"
                                 z3="2.442452"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.871696"
                                 y3="0.46213"
                                 z3="0.966239"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.642321"
                                 y3="1.773753"
                                 z3="-0.353887"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.22199"
                                 y3="2.38869"
                                 z3="-1.438838"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.973942"
                                 y3="-2.700987"
                                 z3="2.616265"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.023758"
                                 y3="-1.084233"
                                 z3="3.411115"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.522218"
                                 y3="0.042516"
                                 z3="-1.546753"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.043607"
                                 y3="-2.595931"
                                 z3="-2.089088"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.100862"
                                 y3="2.587966"
                                 z3="-2.909076"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.889793"
                                 y3="1.129939"
                                 z3="-3.970207"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.161495"
                                 y3="3.26947"
                                 z3="0.422001"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.948782"
                                 y3="1.426823"
                                 z3="-1.484757"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.261726"
                                 y3="1.203317"
                                 z3="3.650663"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.51216"
                                 y3="-1.392791"
                                 z3="2.952872"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.63711"
                                 y3="1.723794"
                                 z3="1.380767"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.847157"
                                 y3="0.829084"
                                 z3="1.781467"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.043508"
                                 y3="1.005306"
                                 z3="-0.684308"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.475687"
                                 y3="3.324242"
                                 z3="0.78872"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.963519"
                                 y3="1.814322"
                                 z3="0.764973"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.345544"
                                 y3="-0.187242"
                                 z3="-1.455089"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.108101"
                                 y3="-2.647606"
                                 z3="-0.581875"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.962074"
                                 y3="-1.545277"
                                 z3="-0.47659"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.544346"
                                 y3="-1.014832"
                                 z3="1.043132"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.492897"
                                 y3="-2.088278"
                                 z3="-1.08701"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.21792"
                                 y3="-1.067689"
                                 z3="3.546014"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.773779"
                                 y3="2.89347"
                                 z3="-3.778606"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0618,1.006,-2.4152;1.1635,-.3605,-2.8497;2.2821,-1.2073,-1.3317;2.5501,-1.5213,.5815;1.684,-1.1113,2.2754;.1334,-.2172,3.3748;-1.4208,.2305,2.4425;-2.8717,.4621,.9662;-2.6423,1.7738,-.3539;-1.222,2.3887,-1.4388;.9739,-2.701,2.6163;3.0238,-1.0842,3.4111;3.5222,.0425,-1.5468;3.0436,-2.5959,-2.0891;1.1009,2.588,-2.9091;-.8898,1.1299,-3.9702;-3.1615,3.2695,.422;-3.9488,1.4268,-1.4848;-2.2617,1.2033,3.6507;-2.5122,-1.3928,2.9529;-.6371,1.7238,1.3808;1.8472,.8291,1.7815;1.0435,1.0053,-.6843;1.4757,3.3242,.7887;.9635,1.8143,.765;-1.3455,-.1872,-1.4551;-2.1081,-2.6476,-.5819;-.9621,-1.5453,-.4766;-.5443,-1.0148,1.0431;.4929,-2.0883,-1.087;-3.2179,-1.0677,3.546;.7738,2.8935,-3.7786;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80705685</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00340891</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">0.00086966</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">0.00340891</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00086966</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02663550</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">0.00929842</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="-0.063644"
                                 y3="0.998019"
                                 z3="-2.412147"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.171061"
                                 y3="-0.362054"
                                 z3="-2.846475"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.283935"
                                 y3="-1.213426"
                                 z3="-1.333673"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.553698"
                                 y3="-1.530772"
                                 z3="0.58169"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.689516"
                                 y3="-1.115042"
                                 z3="2.271211"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.138544"
                                 y3="-0.218542"
                                 z3="3.378764"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.408595"
                                 y3="0.238005"
                                 z3="2.444902"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.871396"
                                 y3="0.48183"
                                 z3="0.962711"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.665629"
                                 y3="1.784178"
                                 z3="-0.362491"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.240167"
                                 y3="2.381337"
                                 z3="-1.444801"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.966374"
                                 y3="-2.699501"
                                 z3="2.608569"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.029095"
                                 y3="-1.097822"
                                 z3="3.406921"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.521311"
                                 y3="0.042243"
                                 z3="-1.528738"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.052948"
                                 y3="-2.59661"
                                 z3="-2.09188"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.099175"
                                 y3="2.583756"
                                 z3="-2.901436"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.884663"
                                 y3="1.134956"
                                 z3="-3.969794"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.18196"
                                 y3="3.284795"
                                 z3="0.40697"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-3.975417"
                                 y3="1.427248"
                                 z3="-1.487134"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.26885"
                                 y3="1.197032"
                                 z3="3.650192"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.504136"
                                 y3="-1.391064"
                                 z3="2.940179"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.626665"
                                 y3="1.739984"
                                 z3="1.401268"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.855101"
                                 y3="0.823579"
                                 z3="1.777925"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="1.026294"
                                 y3="1.017418"
                                 z3="-0.680319"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.49351"
                                 y3="3.325317"
                                 z3="0.797253"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.968545"
                                 y3="1.820243"
                                 z3="0.773455"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.349494"
                                 y3="-0.203557"
                                 z3="-1.469664"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.10375"
                                 y3="-2.656939"
                                 z3="-0.579231"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.962669"
                                 y3="-1.549552"
                                 z3="-0.47821"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.548495"
                                 y3="-0.999858"
                                 z3="1.036179"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.496853"
                                 y3="-2.092945"
                                 z3="-1.081265"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.19882"
                                 y3="-1.069211"
                                 z3="3.548039"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.774791"
                                 y3="2.885754"
                                 z3="-3.773279"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0636,.998,-2.4121;1.1711,-.3621,-2.8465;2.2839,-1.2134,-1.3337;2.5537,-1.5308,.5817;1.6895,-1.115,2.2712;.1385,-.2185,3.3788;-1.4086,.238,2.4449;-2.8714,.4818,.9627;-2.6656,1.7842,-.3625;-1.2402,2.3813,-1.4448;.9664,-2.6995,2.6086;3.0291,-1.0978,3.4069;3.5213,.0422,-1.5287;3.0529,-2.5966,-2.0919;1.0992,2.5838,-2.9014;-.8847,1.135,-3.9698;-3.182,3.2848,.407;-3.9754,1.4272,-1.4871;-2.2689,1.197,3.6502;-2.5041,-1.3911,2.9402;-.6267,1.74,1.4013;1.8551,.8236,1.7779;1.0263,1.0174,-.6803;1.4935,3.3253,.7973;.9685,1.8202,.7735;-1.3495,-.2036,-1.4697;-2.1037,-2.6569,-.5792;-.9627,-1.5496,-.4782;-.5485,-.9999,1.0362;.4969,-2.0929,-1.0813;-3.1988,-1.0692,3.548;.7748,2.8858,-3.7733;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80748826</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00276544</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">0.00090009</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">0.00276544</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00090009</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05490495</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">0.01929184</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="-0.067144"
                                 y3="0.983331"
                                 z3="-2.404648"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.183929"
                                 y3="-0.366394"
                                 z3="-2.837445"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.2875"
                                 y3="-1.227558"
                                 z3="-1.337316"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.560597"
                                 y3="-1.551071"
                                 z3="0.58216"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.703157"
                                 y3="-1.123227"
                                 z3="2.263413"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.150847"
                                 y3="-0.220335"
                                 z3="3.385958"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.38271"
                                 y3="0.251473"
                                 z3="2.44929"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.868605"
                                 y3="0.523696"
                                 z3="0.952067"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.715195"
                                 y3="1.807064"
                                 z3="-0.38066"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.279765"
                                 y3="2.367135"
                                 z3="-1.455531"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.952631"
                                 y3="-2.695691"
                                 z3="2.594142"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.04135"
                                 y3="-1.126088"
                                 z3="3.400055"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.51769"
                                 y3="0.03958"
                                 z3="-1.492986"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.072096"
                                 y3="-2.599071"
                                 z3="-2.09755"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.091631"
                                 y3="2.58002"
                                 z3="-2.886637"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.872392"
                                 y3="1.14036"
                                 z3="-3.969026"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.225911"
                                 y3="3.316623"
                                 z3="0.377194"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.030322"
                                 y3="1.429471"
                                 z3="-1.493738"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.278885"
                                 y3="1.181648"
                                 z3="3.650593"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.491234"
                                 y3="-1.385777"
                                 z3="2.910541"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.601069"
                                 y3="1.770738"
                                 z3="1.448655"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.872785"
                                 y3="0.811702"
                                 z3="1.769083"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.99065"
                                 y3="1.042615"
                                 z3="-0.670536"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.528174"
                                 y3="3.328346"
                                 z3="0.81342"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="0.980509"
                                 y3="1.831565"
                                 z3="0.791792"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.352294"
                                 y3="-0.237594"
                                 z3="-1.502054"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.094518"
                                 y3="-2.675088"
                                 z3="-0.567555"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.962902"
                                 y3="-1.557863"
                                 z3="-0.480855"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.554831"
                                 y3="-0.970156"
                                 z3="1.021292"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.505211"
                                 y3="-2.104431"
                                 z3="-1.066961"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.166917"
                                 y3="-1.070241"
                                 z3="3.542652"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.772339"
                                 y3="2.874021"
                                 z3="-3.763119"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0671,.9833,-2.4046;1.1839,-.3664,-2.8374;2.2875,-1.2276,-1.3373;2.5606,-1.5511,.5822;1.7032,-1.1232,2.2634;.1508,-.2203,3.386;-1.3827,.2515,2.4493;-2.8686,.5237,.9521;-2.7152,1.8071,-.3807;-1.2798,2.3671,-1.4555;.9526,-2.6957,2.5941;3.0413,-1.1261,3.4001;3.5177,.0396,-1.493;3.0721,-2.5991,-2.0976;1.0916,2.58,-2.8866;-.8724,1.1404,-3.969;-3.2259,3.3166,.3772;-4.0303,1.4295,-1.4937;-2.2789,1.1816,3.6506;-2.4912,-1.3858,2.9105;-.6011,1.7707,1.4487;1.8728,.8117,1.7691;.9907,1.0426,-.6705;1.5282,3.3283,.8134;.9805,1.8316,.7918;-1.3523,-.2376,-1.5021;-2.0945,-2.6751,-.5676;-.9629,-1.5579,-.4809;-.5548,-.9702,1.0213;.5052,-2.1044,-1.067;-3.1669,-1.0702,3.5427;.7723,2.874,-3.7631;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80824664</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00460738</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">0.00135582</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">0.00460738</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00135582</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.11760693</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">0.04103263</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="-0.075346"
                                 y3="0.954235"
                                 z3="-2.388096"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.209102"
                                 y3="-0.374548"
                                 z3="-2.815396"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.294982"
                                 y3="-1.254364"
                                 z3="-1.343083"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.573605"
                                 y3="-1.595082"
                                 z3="0.585485"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.732086"
                                 y3="-1.143574"
                                 z3="2.25069"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.178009"
                                 y3="-0.223539"
                                 z3="3.399112"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.32736"
                                 y3="0.278008"
                                 z3="2.455191"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.858516"
                                 y3="0.616858"
                                 z3="0.923649"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.820435"
                                 y3="1.858597"
                                 z3="-0.421597"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.364941"
                                 y3="2.337361"
                                 z3="-1.477659"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.926079"
                                 y3="-2.689432"
                                 z3="2.568285"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.065354"
                                 y3="-1.185555"
                                 z3="3.390809"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.513816"
                                 y3="0.028608"
                                 z3="-1.415118"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.112711"
                                 y3="-2.601298"
                                 z3="-2.106426"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.068639"
                                 y3="2.576323"
                                 z3="-2.857241"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.854303"
                                 y3="1.144276"
                                 z3="-3.962629"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.320458"
                                 y3="3.385756"
                                 z3="0.314516"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.147929"
                                 y3="1.435274"
                                 z3="-1.508424"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.290339"
                                 y3="1.151423"
                                 z3="3.646474"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.468631"
                                 y3="-1.370192"
                                 z3="2.839791"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.539752"
                                 y3="1.829497"
                                 z3="1.549427"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.908975"
                                 y3="0.784791"
                                 z3="1.748608"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.913524"
                                 y3="1.097629"
                                 z3="-0.648758"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.602593"
                                 y3="3.330215"
                                 z3="0.845749"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.008477"
                                 y3="1.851767"
                                 z3="0.829277"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.350046"
                                 y3="-0.310018"
                                 z3="-1.566847"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.074502"
                                 y3="-2.710188"
                                 z3="-0.539101"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.960626"
                                 y3="-1.575126"
                                 z3="-0.485562"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.563889"
                                 y3="-0.91251"
                                 z3="0.989496"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.524102"
                                 y3="-2.130745"
                                 z3="-1.036865"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.103117"
                                 y3="-1.073231"
                                 z3="3.521714"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.754532"
                                 y3="2.857585"
                                 z3="-3.739783"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0753,.9542,-2.3881;1.2091,-.3745,-2.8154;2.295,-1.2544,-1.3431;2.5736,-1.5951,.5855;1.7321,-1.1436,2.2507;.178,-.2235,3.3991;-1.3274,.278,2.4552;-2.8585,.6169,.9236;-2.8204,1.8586,-.4216;-1.3649,2.3374,-1.4777;.9261,-2.6894,2.5683;3.0654,-1.1856,3.3908;3.5138,.0286,-1.4151;3.1127,-2.6013,-2.1064;1.0686,2.5763,-2.8572;-.8543,1.1443,-3.9626;-3.3205,3.3858,.3145;-4.1479,1.4353,-1.5084;-2.2903,1.1514,3.6465;-2.4686,-1.3702,2.8398;-.5398,1.8295,1.5494;1.909,.7848,1.7486;.9135,1.0976,-.6488;1.6026,3.3302,.8457;1.0085,1.8518,.8293;-1.35,-.31,-1.5668;-2.0745,-2.7102,-.5391;-.9606,-1.5751,-.4856;-.5639,-.9125,.9895;.5241,-2.1307,-1.0369;-3.1031,-1.0732,3.5217;.7545,2.8576,-3.7398;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80973478</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01102448</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">0.00313660</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">0.01102448</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00313660</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.24505635</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">0.08276680</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="-0.099589"
                                 y3="0.903823"
                                 z3="-2.347908"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.252915"
                                 y3="-0.382009"
                                 z3="-2.761221"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.307023"
                                 y3="-1.298339"
                                 z3="-1.35474"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.599316"
                                 y3="-1.68516"
                                 z3="0.598443"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.791613"
                                 y3="-1.189359"
                                 z3="2.236162"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.231403"
                                 y3="-0.228465"
                                 z3="3.416505"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.218008"
                                 y3="0.327031"
                                 z3="2.4530"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.835335"
                                 y3="0.816096"
                                 z3="0.849556"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-3.036587"
                                 y3="1.964528"
                                 z3="-0.510804"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.542901"
                                 y3="2.27503"
                                 z3="-1.520572"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.886854"
                                 y3="-2.680314"
                                 z3="2.532755"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.108783"
                                 y3="-1.295317"
                                 z3="3.388883"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.525488"
                                 y3="-0.020967"
                                 z3="-1.257968"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.189066"
                                 y3="-2.598007"
                                 z3="-2.11883"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.013064"
                                 y3="2.574587"
                                 z3="-2.787998"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.83668"
                                 y3="1.145737"
                                 z3="-3.935376"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.513179"
                                 y3="3.527948"
                                 z3="0.181081"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.392986"
                                 y3="1.447043"
                                 z3="-1.533849"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.286549"
                                 y3="1.104408"
                                 z3="3.61805"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.425496"
                                 y3="-1.327954"
                                 z3="2.683423"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.404898"
                                 y3="1.924845"
                                 z3="1.739644"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.967667"
                                 y3="0.726216"
                                 z3="1.705529"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.754723"
                                 y3="1.213955"
                                 z3="-0.601399"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.753351"
                                 y3="3.312636"
                                 z3="0.892317"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.062375"
                                 y3="1.877983"
                                 z3="0.897203"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.329412"
                                 y3="-0.452815"
                                 z3="-1.677918"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.037036"
                                 y3="-2.764209"
                                 z3="-0.47357"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.953449"
                                 y3="-1.602487"
                                 z3="-0.492019"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.556587"
                                 y3="-0.816782"
                                 z3="0.926167"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.563497"
                                 y3="-2.186341"
                                 z3="-0.979678"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-2.975157"
                                 y3="-1.089533"
                                 z3="3.456212"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.703108"
                                 y3="2.844995"
                                 z3="-3.675389"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7,8)19-5(15,16)22-3(11,12)20-2(9,10)21-4(13,14,25-29(17,23-2)27-5)26-30(18,24-3)28-5/h13,15H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoO1MoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0996,.9038,-2.3479;1.2529,-.382,-2.7612;2.307,-1.2983,-1.3547;2.5993,-1.6852,.5984;1.7916,-1.1894,2.2362;.2314,-.2285,3.4165;-1.218,.327,2.453;-2.8353,.8161,.8496;-3.0366,1.9645,-.5108;-1.5429,2.275,-1.5206;.8869,-2.6803,2.5328;3.1088,-1.2953,3.3889;3.5255,-.021,-1.258;3.1891,-2.598,-2.1188;1.0131,2.5746,-2.788;-.8367,1.1457,-3.9354;-3.5132,3.5279,.1811;-4.393,1.447,-1.5338;-2.2865,1.1044,3.6181;-2.4255,-1.328,2.6834;-.4049,1.9248,1.7396;1.9677,.7262,1.7055;.7547,1.214,-.6014;1.7534,3.3126,.8923;1.0624,1.878,.8972;-1.3294,-.4528,-1.6779;-2.037,-2.7642,-.4736;-.9534,-1.6025,-.492;-.5566,-.8168,.9262;.5635,-2.1863,-.9797;-2.9752,-1.0895,3.4562;.7031,2.845,-3.6754;/R:/0/N:9,5,3,7,1,8,17,18,11,12,13,14,20,19,15,16,24,27,10,4,6,2,22,30,21,29,23,26,25,28/E:(6,7,8)(9,10)(11,12)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,12.1,14.1,16.1,17.1,18.1</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">-9.80625744</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03815916</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">0.00937159</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">0.03815916</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00937159</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05719519</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">0.01918152</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="-0.089861"
                                 y3="0.923967"
                                 z3="-2.357903"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.259213"
                                 y3="-0.366826"
                                 z3="-2.764292"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.307772"
                                 y3="-1.287159"
                                 z3="-1.359394"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.579505"
                                 y3="-1.675648"
                                 z3="0.589129"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.760233"
                                 y3="-1.188688"
                                 z3="2.227704"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.209301"
                                 y3="-0.238373"
                                 z3="3.413253"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.253094"
                                 y3="0.318447"
                                 z3="2.45938"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.84266"
                                 y3="0.800371"
                                 z3="0.881501"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.997987"
                                 y3="1.953452"
                                 z3="-0.496711"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.512981"
                                 y3="2.278809"
                                 z3="-1.540278"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.868948"
                                 y3="-2.688272"
                                 z3="2.53236"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.083994"
                                 y3="-1.294421"
                                 z3="3.376878"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.508173"
                                 y3="0.010461"
                                 z3="-1.254478"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.180757"
                                 y3="-2.587599"
                                 z3="-2.139234"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.038162"
                                 y3="2.566563"
                                 z3="-2.829656"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.815712"
                                 y3="1.117315"
                                 z3="-3.955264"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.455984"
                                 y3="3.533443"
                                 z3="0.166745"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.367061"
                                 y3="1.422049"
                                 z3="-1.493365"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.291035"
                                 y3="1.10237"
                                 z3="3.64769"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.43097"
                                 y3="-1.344665"
                                 z3="2.720825"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.434738"
                                 y3="1.921443"
                                 z3="1.725522"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.95602"
                                 y3="0.72726"
                                 z3="1.70298"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.773313"
                                 y3="1.193541"
                                 z3="-0.609678"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.741093"
                                 y3="3.311535"
                                 z3="0.881753"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.05455"
                                 y3="1.874165"
                                 z3="0.88591"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.325983"
                                 y3="-0.430786"
                                 z3="-1.671541"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.016326"
                                 y3="-2.76671"
                                 z3="-0.463804"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.940139"
                                 y3="-1.597681"
                                 z3="-0.484073"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.584484"
                                 y3="-0.798003"
                                 z3="0.932615"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.564208"
                                 y3="-2.159554"
                                 z3="-0.980707"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-2.969152"
                                 y3="-1.118779"
                                 z3="3.505934"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.709323"
                                 y3="2.856776"
                                 z3="-3.704112"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0899,.924,-2.3579;1.2592,-.3668,-2.7643;2.3078,-1.2872,-1.3594;2.5795,-1.6756,.5891;1.7602,-1.1887,2.2277;.2093,-.2384,3.4133;-1.2531,.3184,2.4594;-2.8427,.8004,.8815;-2.998,1.9535,-.4967;-1.513,2.2788,-1.5403;.8689,-2.6883,2.5324;3.084,-1.2944,3.3769;3.5082,.0105,-1.2545;3.1808,-2.5876,-2.1392;1.0382,2.5666,-2.8297;-.8157,1.1173,-3.9553;-3.456,3.5334,.1667;-4.3671,1.422,-1.4934;-2.291,1.1024,3.6477;-2.431,-1.3447,2.7208;-.4347,1.9214,1.7255;1.956,.7273,1.703;.7733,1.1935,-.6097;1.7411,3.3115,.8818;1.0546,1.8742,.8859;-1.326,-.4308,-1.6715;-2.0163,-2.7667,-.4638;-.9401,-1.5977,-.4841;-.5845,-.798,.9326;.5642,-2.1596,-.9807;-2.9692,-1.1188,3.5059;.7093,2.8568,-3.7041;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-9.80871546</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02701183</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">0.00599781</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">0.02701183</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00599781</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.11713731</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">0.03891624</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="-0.07584"
                                 y3="0.944666"
                                 z3="-2.377991"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.23948"
                                 y3="-0.36692"
                                 z3="-2.789838"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.304019"
                                 y3="-1.266528"
                                 z3="-1.346067"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.571909"
                                 y3="-1.635512"
                                 z3="0.588554"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.738841"
                                 y3="-1.168755"
                                 z3="2.238495"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.189639"
                                 y3="-0.235888"
                                 z3="3.405809"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.299663"
                                 y3="0.292522"
                                 z3="2.45957"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.852793"
                                 y3="0.706229"
                                 z3="0.907061"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.901834"
                                 y3="1.910049"
                                 z3="-0.459997"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.4335"
                                 y3="2.314753"
                                 z3="-1.516353"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.895142"
                                 y3="-2.69522"
                                 z3="2.548674"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.067984"
                                 y3="-1.241245"
                                 z3="3.3838"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.507163"
                                 y3="0.033269"
                                 z3="-1.331483"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.146826"
                                 y3="-2.590433"
                                 z3="-2.122849"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.056771"
                                 y3="2.571555"
                                 z3="-2.866362"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.836088"
                                 y3="1.11374"
                                 z3="-3.962434"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.380564"
                                 y3="3.463709"
                                 z3="0.243236"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.249923"
                                 y3="1.426388"
                                 z3="-1.503408"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.286597"
                                 y3="1.1214"
                                 z3="3.661687"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.456897"
                                 y3="-1.362616"
                                 z3="2.790347"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.489459"
                                 y3="1.870336"
                                 z3="1.633708"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.93676"
                                 y3="0.757703"
                                 z3="1.724494"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.849103"
                                 y3="1.142664"
                                 z3="-0.630439"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.669083"
                                 y3="3.326135"
                                 z3="0.863915"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.036306"
                                 y3="1.864028"
                                 z3="0.857711"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.331938"
                                 y3="-0.36335"
                                 z3="-1.614938"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.049854"
                                 y3="-2.735956"
                                 z3="-0.506433"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.948475"
                                 y3="-1.58908"
                                 z3="-0.484106"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.581974"
                                 y3="-0.853299"
                                 z3="0.962645"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.541969"
                                 y3="-2.144539"
                                 z3="-1.009022"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.033878"
                                 y3="-1.10419"
                                 z3="3.536559"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.724684"
                                 y3="2.863184"
                                 z3="-3.738856"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0758,.9447,-2.378;1.2395,-.3669,-2.7898;2.304,-1.2665,-1.3461;2.5719,-1.6355,.5886;1.7388,-1.1688,2.2385;.1896,-.2359,3.4058;-1.2997,.2925,2.4596;-2.8528,.7062,.9071;-2.9018,1.91,-.46;-1.4335,2.3148,-1.5164;.8951,-2.6952,2.5487;3.068,-1.2412,3.3838;3.5072,.0333,-1.3315;3.1468,-2.5904,-2.1228;1.0568,2.5716,-2.8664;-.8361,1.1137,-3.9624;-3.3806,3.4637,.2432;-4.2499,1.4264,-1.5034;-2.2866,1.1214,3.6617;-2.4569,-1.3626,2.7903;-.4895,1.8703,1.6337;1.9368,.7577,1.7245;.8491,1.1427,-.6304;1.6691,3.3261,.8639;1.0363,1.864,.8577;-1.3319,-.3634,-1.6149;-2.0499,-2.736,-.5064;-.9485,-1.5891,-.4841;-.582,-.8533,.9626;.542,-2.1445,-1.009;-3.0339,-1.1042,3.5366;.7247,2.8632,-3.7389;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81049881</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01278546</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">0.00352006</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">0.01278546</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00352006</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05002675</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">0.01196755</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="-0.077738"
                                 y3="0.947165"
                                 z3="-2.372999"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.229753"
                                 y3="-0.370526"
                                 z3="-2.793003"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.305251"
                                 y3="-1.274025"
                                 z3="-1.350547"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.581473"
                                 y3="-1.629874"
                                 z3="0.584673"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.748581"
                                 y3="-1.16183"
                                 z3="2.24012"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.193013"
                                 y3="-0.234088"
                                 z3="3.405235"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.299602"
                                 y3="0.288448"
                                 z3="2.461177"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.854494"
                                 y3="0.686126"
                                 z3="0.911013"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.900633"
                                 y3="1.896798"
                                 z3="-0.447497"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.42975"
                                 y3="2.316951"
                                 z3="-1.499568"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.909295"
                                 y3="-2.688703"
                                 z3="2.557357"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.077064"
                                 y3="-1.22327"
                                 z3="3.385463"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.50717"
                                 y3="0.025658"
                                 z3="-1.365175"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.138727"
                                 y3="-2.601646"
                                 z3="-2.129922"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.052185"
                                 y3="2.58146"
                                 z3="-2.847457"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.832342"
                                 y3="1.130757"
                                 z3="-3.959967"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.388006"
                                 y3="3.442163"
                                 z3="0.265064"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.234331"
                                 y3="1.424385"
                                 z3="-1.511944"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.279583"
                                 y3="1.132854"
                                 z3="3.659567"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.460797"
                                 y3="-1.358725"
                                 z3="2.805909"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.493751"
                                 y3="1.857636"
                                 z3="1.619704"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.934537"
                                 y3="0.764332"
                                 z3="1.728916"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.867576"
                                 y3="1.13582"
                                 z3="-0.63217"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.650575"
                                 y3="3.331324"
                                 z3="0.867825"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.032091"
                                 y3="1.863424"
                                 z3="0.852303"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.328743"
                                 y3="-0.355058"
                                 z3="-1.605478"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.058176"
                                 y3="-2.730516"
                                 z3="-0.514531"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.950769"
                                 y3="-1.589897"
                                 z3="-0.484468"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.574854"
                                 y3="-0.868891"
                                 z3="0.968064"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.539159"
                                 y3="-2.14637"
                                 z3="-1.017481"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.083904"
                                 y3="-1.071897"
                                 z3="3.502791"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.747422"
                                 y3="2.848816"
                                 z3="-3.737286"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0777,.9472,-2.373;1.2298,-.3705,-2.793;2.3053,-1.274,-1.3505;2.5815,-1.6299,.5847;1.7486,-1.1618,2.2401;.193,-.2341,3.4052;-1.2996,.2884,2.4612;-2.8545,.6861,.911;-2.9006,1.8968,-.4475;-1.4298,2.317,-1.4996;.9093,-2.6887,2.5574;3.0771,-1.2233,3.3855;3.5072,.0257,-1.3652;3.1387,-2.6016,-2.1299;1.0522,2.5815,-2.8475;-.8323,1.1308,-3.96;-3.388,3.4422,.2651;-4.2343,1.4244,-1.5119;-2.2796,1.1329,3.6596;-2.4608,-1.3587,2.8059;-.4938,1.8576,1.6197;1.9345,.7643,1.7289;.8676,1.1358,-.6322;1.6506,3.3313,.8678;1.0321,1.8634,.8523;-1.3287,-.3551,-1.6055;-2.0582,-2.7305,-.5145;-.9508,-1.5899,-.4845;-.5749,-.8689,.9681;.5392,-2.1464,-1.0175;-3.0839,-1.0719,3.5028;.7474,2.8488,-3.7373;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">23</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">23</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81099658</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01216697</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">0.00308744</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">0.01216697</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00308744</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03033544</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">0.01162107</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="-0.07509"
                                 y3="0.953292"
                                 z3="-2.377377"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.233259"
                                 y3="-0.368863"
                                 z3="-2.793939"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.309101"
                                 y3="-1.272444"
                                 z3="-1.346429"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.588303"
                                 y3="-1.636068"
                                 z3="0.593179"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.758766"
                                 y3="-1.166025"
                                 z3="2.254023"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.19959"
                                 y3="-0.240914"
                                 z3="3.408157"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.301383"
                                 y3="0.277311"
                                 z3="2.462763"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.85361"
                                 y3="0.690086"
                                 z3="0.906371"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.915986"
                                 y3="1.908066"
                                 z3="-0.455168"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.442736"
                                 y3="2.324983"
                                 z3="-1.507569"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.927822"
                                 y3="-2.696609"
                                 z3="2.569947"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.081264"
                                 y3="-1.211077"
                                 z3="3.406751"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.525455"
                                 y3="0.011714"
                                 z3="-1.381567"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.136899"
                                 y3="-2.604481"
                                 z3="-2.126043"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.042363"
                                 y3="2.593417"
                                 z3="-2.855724"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.845339"
                                 y3="1.112319"
                                 z3="-3.960007"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.415984"
                                 y3="3.447584"
                                 z3="0.264652"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.241319"
                                 y3="1.42518"
                                 z3="-1.529212"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.251041"
                                 y3="1.13043"
                                 z3="3.67985"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.475532"
                                 y3="-1.358975"
                                 z3="2.799599"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.47993"
                                 y3="1.841945"
                                 z3="1.61589"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.944227"
                                 y3="0.768492"
                                 z3="1.732981"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.87571"
                                 y3="1.144279"
                                 z3="-0.630154"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.648827"
                                 y3="3.338813"
                                 z3="0.877915"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.042277"
                                 y3="1.866102"
                                 z3="0.857602"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.315925"
                                 y3="-0.349854"
                                 z3="-1.596589"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.088511"
                                 y3="-2.706761"
                                 z3="-0.521026"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.957206"
                                 y3="-1.590578"
                                 z3="-0.486456"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.548287"
                                 y3="-0.891632"
                                 z3="0.972458"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.532675"
                                 y3="-2.163665"
                                 z3="-1.026949"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.110423"
                                 y3="-1.0674"
                                 z3="3.483378"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.738164"
                                 y3="2.860132"
                                 z3="-3.745617"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0751,.9533,-2.3774;1.2333,-.3689,-2.7939;2.3091,-1.2724,-1.3464;2.5883,-1.6361,.5932;1.7588,-1.166,2.254;.1996,-.2409,3.4082;-1.3014,.2773,2.4628;-2.8536,.6901,.9064;-2.916,1.9081,-.4552;-1.4427,2.325,-1.5076;.9278,-2.6966,2.5699;3.0813,-1.2111,3.4068;3.5255,.0117,-1.3816;3.1369,-2.6045,-2.126;1.0424,2.5934,-2.8557;-.8453,1.1123,-3.96;-3.416,3.4476,.2647;-4.2413,1.4252,-1.5292;-2.251,1.1304,3.6799;-2.4755,-1.359,2.7996;-.4799,1.8419,1.6159;1.9442,.7685,1.733;.8757,1.1443,-.6302;1.6488,3.3388,.8779;1.0423,1.8661,.8576;-1.3159,-.3499,-1.5966;-2.0885,-2.7068,-.521;-.9572,-1.5906,-.4865;-.5483,-.8916,.9725;.5327,-2.1637,-1.0269;-3.1104,-1.0674,3.4834;.7382,2.8601,-3.7456;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">24</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">24</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81145550</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01000703</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">0.00325555</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">0.01000703</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00325555</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03045528</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">0.00887202</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="-0.077435"
                                 y3="0.953363"
                                 z3="-2.365693"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.233515"
                                 y3="-0.36668"
                                 z3="-2.789886"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.315391"
                                 y3="-1.280801"
                                 z3="-1.350334"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.597431"
                                 y3="-1.641779"
                                 z3="0.587627"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.763165"
                                 y3="-1.167894"
                                 z3="2.24791"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.201795"
                                 y3="-0.244243"
                                 z3="3.407338"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.295951"
                                 y3="0.278872"
                                 z3="2.46257"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.852161"
                                 y3="0.696496"
                                 z3="0.9085"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.934406"
                                 y3="1.91046"
                                 z3="-0.450722"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.456453"
                                 y3="2.319777"
                                 z3="-1.498026"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.927256"
                                 y3="-2.69452"
                                 z3="2.568121"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.084522"
                                 y3="-1.212602"
                                 z3="3.40124"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.515047"
                                 y3="0.018142"
                                 z3="-1.388084"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.137686"
                                 y3="-2.608127"
                                 z3="-2.143202"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.034923"
                                 y3="2.599143"
                                 z3="-2.840691"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.838049"
                                 y3="1.119659"
                                 z3="-3.95294"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.438493"
                                 y3="3.449656"
                                 z3="0.26586"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.251442"
                                 y3="1.415789"
                                 z3="-1.528929"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.247832"
                                 y3="1.140107"
                                 z3="3.672396"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.475555"
                                 y3="-1.349539"
                                 z3="2.805588"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.474549"
                                 y3="1.837017"
                                 z3="1.619846"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.947575"
                                 y3="0.760837"
                                 z3="1.730369"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.876712"
                                 y3="1.145806"
                                 z3="-0.628261"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.656927"
                                 y3="3.335841"
                                 z3="0.885371"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.047019"
                                 y3="1.8649"
                                 z3="0.858265"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.305809"
                                 y3="-0.3541"
                                 z3="-1.594268"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.073082"
                                 y3="-2.717456"
                                 z3="-0.514709"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.947482"
                                 y3="-1.596448"
                                 z3="-0.482653"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.556877"
                                 y3="-0.885825"
                                 z3="0.972438"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.539625"
                                 y3="-2.159264"
                                 z3="-1.027326"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.138434"
                                 y3="-1.038206"
                                 z3="3.452923"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.751816"
                                 y3="2.84042"
                                 z3="-3.744952"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0774,.9534,-2.3657;1.2335,-.3667,-2.7899;2.3154,-1.2808,-1.3503;2.5974,-1.6418,.5876;1.7632,-1.1679,2.2479;.2018,-.2442,3.4073;-1.296,.2789,2.4626;-2.8522,.6965,.9085;-2.9344,1.9105,-.4507;-1.4565,2.3198,-1.498;.9273,-2.6945,2.5681;3.0845,-1.2126,3.4012;3.515,.0181,-1.3881;3.1377,-2.6081,-2.1432;1.0349,2.5991,-2.8407;-.838,1.1197,-3.9529;-3.4385,3.4497,.2659;-4.2514,1.4158,-1.5289;-2.2478,1.1401,3.6724;-2.4756,-1.3495,2.8056;-.4745,1.837,1.6198;1.9476,.7608,1.7304;.8767,1.1458,-.6283;1.6569,3.3358,.8854;1.047,1.8649,.8583;-1.3058,-.3541,-1.5943;-2.0731,-2.7175,-.5147;-.9475,-1.5964,-.4827;-.5569,-.8858,.9724;.5396,-2.1593,-1.0273;-3.1384,-1.0382,3.4529;.7518,2.8404,-3.745;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">25</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">25</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81196519</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00855148</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">0.00225106</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">0.00855148</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00225106</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06252033</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">0.02191411</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="-0.081828"
                                 y3="0.948436"
                                 z3="-2.352665"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.249994"
                                 y3="-0.36024"
                                 z3="-2.77587"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.328594"
                                 y3="-1.290425"
                                 z3="-1.35106"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.609628"
                                 y3="-1.668317"
                                 z3="0.588224"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.771531"
                                 y3="-1.185118"
                                 z3="2.244546"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.210785"
                                 y3="-0.257098"
                                 z3="3.409534"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.278226"
                                 y3="0.28509"
                                 z3="2.460633"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.842917"
                                 y3="0.754274"
                                 z3="0.901146"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.995897"
                                 y3="1.944595"
                                 z3="-0.468209"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.50812"
                                 y3="2.303933"
                                 z3="-1.509381"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.920668"
                                 y3="-2.704621"
                                 z3="2.559685"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.087101"
                                 y3="-1.237461"
                                 z3="3.404405"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.513474"
                                 y3="0.021879"
                                 z3="-1.359915"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.154998"
                                 y3="-2.605913"
                                 z3="-2.159137"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.012226"
                                 y3="2.607253"
                                 z3="-2.827445"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.833743"
                                 y3="1.103192"
                                 z3="-3.945339"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.501013"
                                 y3="3.497663"
                                 z3="0.222476"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.313127"
                                 y3="1.398923"
                                 z3="-1.524967"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.230023"
                                 y3="1.141708"
                                 z3="3.674168"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.475767"
                                 y3="-1.33232"
                                 z3="2.778749"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.439757"
                                 y3="1.84507"
                                 z3="1.655542"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.966839"
                                 y3="0.736952"
                                 z3="1.71996"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.851444"
                                 y3="1.169132"
                                 z3="-0.618894"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.704803"
                                 y3="3.324201"
                                 z3="0.901203"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.069741"
                                 y3="1.864725"
                                 z3="0.872434"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.285779"
                                 y3="-0.381704"
                                 z3="-1.606575"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.049753"
                                 y3="-2.736822"
                                 z3="-0.494157"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.931307"
                                 y3="-1.60887"
                                 z3="-0.478781"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.556044"
                                 y3="-0.868982"
                                 z3="0.964468"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.555941"
                                 y3="-2.166047"
                                 z3="-1.021927"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.146294"
                                 y3="-1.016169"
                                 z3="3.416216"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.728224"
                                 y3="2.841881"
                                 z3="-3.733377"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0818,.9484,-2.3527;1.25,-.3602,-2.7759;2.3286,-1.2904,-1.3511;2.6096,-1.6683,.5882;1.7715,-1.1851,2.2445;.2108,-.2571,3.4095;-1.2782,.2851,2.4606;-2.8429,.7543,.9011;-2.9959,1.9446,-.4682;-1.5081,2.3039,-1.5094;.9207,-2.7046,2.5597;3.0871,-1.2375,3.4044;3.5135,.0219,-1.3599;3.155,-2.6059,-2.1591;1.0122,2.6073,-2.8274;-.8337,1.1032,-3.9453;-3.501,3.4977,.2225;-4.3131,1.3989,-1.525;-2.23,1.1417,3.6742;-2.4758,-1.3323,2.7787;-.4398,1.8451,1.6555;1.9668,.737,1.72;.8514,1.1691,-.6189;1.7048,3.3242,.9012;1.0697,1.8647,.8724;-1.2858,-.3817,-1.6066;-2.0498,-2.7368,-.4942;-.9313,-1.6089,-.4788;-.556,-.869,.9645;.5559,-2.166,-1.0219;-3.1463,-1.0162,3.4162;.7282,2.8419,-3.7334;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">26</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">26</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81276411</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00849431</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">0.00182924</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">0.00849431</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00182924</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02694115</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">0.01001386</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="-0.082294"
                                 y3="0.944089"
                                 z3="-2.351859"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.258208"
                                 y3="-0.35754"
                                 z3="-2.772295"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.335126"
                                 y3="-1.290284"
                                 z3="-1.348299"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.610744"
                                 y3="-1.677935"
                                 z3="0.588518"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.767785"
                                 y3="-1.193712"
                                 z3="2.24343"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.212075"
                                 y3="-0.262153"
                                 z3="3.410142"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.273075"
                                 y3="0.289633"
                                 z3="2.459007"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.835281"
                                 y3="0.781215"
                                 z3="0.900285"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-3.013609"
                                 y3="1.959119"
                                 z3="-0.475788"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.524959"
                                 y3="2.295207"
                                 z3="-1.515583"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.913212"
                                 y3="-2.71331"
                                 z3="2.550956"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.08092"
                                 y3="-1.25304"
                                 z3="3.405793"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.513555"
                                 y3="0.028334"
                                 z3="-1.338917"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.165524"
                                 y3="-2.598521"
                                 z3="-2.164331"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="1.00228"
                                 y3="2.608677"
                                 z3="-2.825957"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.8341"
                                 y3="1.091964"
                                 z3="-3.944961"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.517133"
                                 y3="3.522067"
                                 z3="0.197666"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.33683"
                                 y3="1.389546"
                                 z3="-1.513885"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.223967"
                                 y3="1.144296"
                                 z3="3.674797"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.478197"
                                 y3="-1.322584"
                                 z3="2.765677"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.426436"
                                 y3="1.850942"
                                 z3="1.667961"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.972247"
                                 y3="0.724643"
                                 z3="1.71431"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.84198"
                                 y3="1.175739"
                                 z3="-0.618666"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.727786"
                                 y3="3.31499"
                                 z3="0.902833"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.079273"
                                 y3="1.861907"
                                 z3="0.875303"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.279837"
                                 y3="-0.394997"
                                 z3="-1.611441"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.033244"
                                 y3="-2.750754"
                                 z3="-0.484078"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.922114"
                                 y3="-1.615302"
                                 z3="-0.476386"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.558165"
                                 y3="-0.862958"
                                 z3="0.963483"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.565333"
                                 y3="-2.165348"
                                 z3="-1.018751"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.143346"
                                 y3="-1.010141"
                                 z3="3.410588"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.702937"
                                 y3="2.855013"
                                 z3="-3.723865"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0823,.9441,-2.3519;1.2582,-.3575,-2.7723;2.3351,-1.2903,-1.3483;2.6107,-1.6779,.5885;1.7678,-1.1937,2.2434;.2121,-.2622,3.4101;-1.2731,.2896,2.459;-2.8353,.7812,.9003;-3.0136,1.9591,-.4758;-1.525,2.2952,-1.5156;.9132,-2.7133,2.551;3.0809,-1.253,3.4058;3.5136,.0283,-1.3389;3.1655,-2.5985,-2.1643;1.0023,2.6087,-2.826;-.8341,1.092,-3.945;-3.5171,3.5221,.1977;-4.3368,1.3895,-1.5139;-2.224,1.1443,3.6748;-2.4782,-1.3226,2.7657;-.4264,1.8509,1.668;1.9722,.7246,1.7143;.842,1.1757,-.6187;1.7278,3.315,.9028;1.0793,1.8619,.8753;-1.2798,-.395,-1.6114;-2.0332,-2.7508,-.4841;-.9221,-1.6153,-.4764;-.5582,-.863,.9635;.5653,-2.1653,-1.0188;-3.1433,-1.0101,3.4106;.7029,2.855,-3.7239;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">27</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">27</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81300746</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00796235</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">0.00166643</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">0.00796235</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00166643</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02446388</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">0.00705247</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="-0.077972"
                                 y3="0.939621"
                                 z3="-2.359021"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.257871"
                                 y3="-0.358618"
                                 z3="-2.777536"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.340084"
                                 y3="-1.285809"
                                 z3="-1.338566"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.609276"
                                 y3="-1.675048"
                                 z3="0.58825"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.755584"
                                 y3="-1.194992"
                                 z3="2.244812"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.209347"
                                 y3="-0.263699"
                                 z3="3.408847"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.277748"
                                 y3="0.290802"
                                 z3="2.458013"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.826227"
                                 y3="0.784507"
                                 z3="0.909318"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-3.002475"
                                 y3="1.959925"
                                 z3="-0.470023"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.517781"
                                 y3="2.292122"
                                 z3="-1.510707"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.910087"
                                 y3="-2.722486"
                                 z3="2.541042"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.066975"
                                 y3="-1.257627"
                                 z3="3.408574"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.512855"
                                 y3="0.038035"
                                 z3="-1.335912"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.171191"
                                 y3="-2.590239"
                                 z3="-2.160615"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.995949"
                                 y3="2.610615"
                                 z3="-2.828497"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.837927"
                                 y3="1.088258"
                                 z3="-3.94773"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.509641"
                                 y3="3.527058"
                                 z3="0.19323"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.327636"
                                 y3="1.382682"
                                 z3="-1.501846"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.219581"
                                 y3="1.15132"
                                 z3="3.676408"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.487137"
                                 y3="-1.314448"
                                 z3="2.76976"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.426421"
                                 y3="1.85015"
                                 z3="1.657926"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.969447"
                                 y3="0.720703"
                                 z3="1.711705"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.856035"
                                 y3="1.166258"
                                 z3="-0.627597"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.725223"
                                 y3="3.310219"
                                 z3="0.890106"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.080485"
                                 y3="1.855158"
                                 z3="0.866334"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.278435"
                                 y3="-0.39461"
                                 z3="-1.605265"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.023414"
                                 y3="-2.75881"
                                 z3="-0.485936"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.915834"
                                 y3="-1.61926"
                                 z3="-0.475562"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.55957"
                                 y3="-0.874256"
                                 z3="0.971875"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.570463"
                                 y3="-2.160967"
                                 z3="-1.02183"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.155144"
                                 y3="-1.00158"
                                 z3="3.411588"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.678473"
                                 y3="2.873814"
                                 z3="-3.715454"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.078,.9396,-2.359;1.2579,-.3586,-2.7775;2.3401,-1.2858,-1.3386;2.6093,-1.675,.5883;1.7556,-1.195,2.2448;.2093,-.2637,3.4088;-1.2777,.2908,2.458;-2.8262,.7845,.9093;-3.0025,1.9599,-.47;-1.5178,2.2921,-1.5107;.9101,-2.7225,2.541;3.067,-1.2576,3.4086;3.5129,.038,-1.3359;3.1712,-2.5902,-2.1606;.9959,2.6106,-2.8285;-.8379,1.0883,-3.9477;-3.5096,3.5271,.1932;-4.3276,1.3827,-1.5018;-2.2196,1.1513,3.6764;-2.4871,-1.3144,2.7698;-.4264,1.8501,1.6579;1.9694,.7207,1.7117;.856,1.1663,-.6276;1.7252,3.3102,.8901;1.0805,1.8552,.8663;-1.2784,-.3946,-1.6053;-2.0234,-2.7588,-.4859;-.9158,-1.6193,-.4756;-.5596,-.8743,.9719;.5705,-2.161,-1.0218;-3.1551,-1.0016,3.4116;.6785,2.8738,-3.7155;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">28</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">28</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81323031</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00635970</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">0.00152434</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">0.00635970</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00152434</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03635977</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">0.01004990</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="-0.073798"
                                 y3="0.928436"
                                 z3="-2.365728"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.259157"
                                 y3="-0.360024"
                                 z3="-2.782739"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.350182"
                                 y3="-1.281886"
                                 z3="-1.324569"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.614196"
                                 y3="-1.676312"
                                 z3="0.589176"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.742975"
                                 y3="-1.199547"
                                 z3="2.247282"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.209572"
                                 y3="-0.268869"
                                 z3="3.407407"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.276784"
                                 y3="0.293705"
                                 z3="2.455136"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.811114"
                                 y3="0.802712"
                                 z3="0.919344"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-3.006099"
                                 y3="1.969586"
                                 z3="-0.465339"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.522863"
                                 y3="2.283392"
                                 z3="-1.504026"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.905814"
                                 y3="-2.734975"
                                 z3="2.526865"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.049794"
                                 y3="-1.268136"
                                 z3="3.415231"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.511358"
                                 y3="0.052229"
                                 z3="-1.3341"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.187911"
                                 y3="-2.579664"
                                 z3="-2.150793"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.978816"
                                 y3="2.614192"
                                 z3="-2.828372"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.844623"
                                 y3="1.083112"
                                 z3="-3.948349"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.518082"
                                 y3="3.543823"
                                 z3="0.18076"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.331836"
                                 y3="1.373388"
                                 z3="-1.486615"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.20699"
                                 y3="1.157575"
                                 z3="3.67922"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.501396"
                                 y3="-1.298309"
                                 z3="2.763409"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.416325"
                                 y3="1.848832"
                                 z3="1.654687"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.969123"
                                 y3="0.709834"
                                 z3="1.70591"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.866895"
                                 y3="1.158728"
                                 z3="-0.635668"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.736926"
                                 y3="3.299927"
                                 z3="0.884411"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.086579"
                                 y3="1.846821"
                                 z3="0.858872"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.272628"
                                 y3="-0.401378"
                                 z3="-1.60257"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.008985"
                                 y3="-2.768325"
                                 z3="-0.485668"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.905428"
                                 y3="-1.624776"
                                 z3="-0.475803"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.555592"
                                 y3="-0.886507"
                                 z3="0.979047"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.581636"
                                 y3="-2.158293"
                                 z3="-1.024795"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.174104"
                                 y3="-0.981399"
                                 z3="3.398108"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.642113"
                                 y3="2.890906"
                                 z3="-3.704044"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0738,.9284,-2.3657;1.2592,-.36,-2.7827;2.3502,-1.2819,-1.3246;2.6142,-1.6763,.5892;1.743,-1.1995,2.2473;.2096,-.2689,3.4074;-1.2768,.2937,2.4551;-2.8111,.8027,.9193;-3.0061,1.9696,-.4653;-1.5229,2.2834,-1.504;.9058,-2.735,2.5269;3.0498,-1.2681,3.4152;3.5114,.0522,-1.3341;3.1879,-2.5797,-2.1508;.9788,2.6142,-2.8284;-.8446,1.0831,-3.9483;-3.5181,3.5438,.1808;-4.3318,1.3734,-1.4866;-2.207,1.1576,3.6792;-2.5014,-1.2983,2.7634;-.4163,1.8488,1.6547;1.9691,.7098,1.7059;.8669,1.1587,-.6357;1.7369,3.2999,.8844;1.0866,1.8468,.8589;-1.2726,-.4014,-1.6026;-2.009,-2.7683,-.4857;-.9054,-1.6248,-.4758;-.5556,-.8865,.979;.5816,-2.1583,-1.0248;-3.1741,-.9814,3.3981;.6421,2.8909,-3.704;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">29</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">29</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81344675</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00620671</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">0.00153615</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">0.00620671</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00153615</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01027845</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">0.00449283</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="-0.069895"
                                 y3="0.92222"
                                 z3="-2.371819"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.257142"
                                 y3="-0.361965"
                                 z3="-2.787908"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.352861"
                                 y3="-1.278371"
                                 z3="-1.315795"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.616689"
                                 y3="-1.671537"
                                 z3="0.59145"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.734944"
                                 y3="-1.198011"
                                 z3="2.250697"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.207783"
                                 y3="-0.269906"
                                 z3="3.405674"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.280219"
                                 y3="0.293446"
                                 z3="2.453644"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.806523"
                                 y3="0.801901"
                                 z3="0.926696"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.998627"
                                 y3="1.969321"
                                 z3="-0.459692"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.516578"
                                 y3="2.282602"
                                 z3="-1.498548"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.904802"
                                 y3="-2.738847"
                                 z3="2.520775"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.039516"
                                 y3="-1.266471"
                                 z3="3.421065"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.508567"
                                 y3="0.060382"
                                 z3="-1.342754"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.193826"
                                 y3="-2.574171"
                                 z3="-2.141734"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.975715"
                                 y3="2.613459"
                                 z3="-2.831897"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.848622"
                                 y3="1.083224"
                                 z3="-3.949852"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.509816"
                                 y3="3.543924"
                                 z3="0.185192"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.324592"
                                 y3="1.375326"
                                 z3="-1.481241"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.202667"
                                 y3="1.157222"
                                 z3="3.683109"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.507575"
                                 y3="-1.297041"
                                 z3="2.763804"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.418176"
                                 y3="1.845638"
                                 z3="1.64883"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.966376"
                                 y3="0.7099"
                                 z3="1.705984"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.874919"
                                 y3="1.149426"
                                 z3="-0.640022"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.732171"
                                 y3="3.298136"
                                 z3="0.876537"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.084666"
                                 y3="1.843169"
                                 z3="0.853669"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.274467"
                                 y3="-0.399507"
                                 z3="-1.601975"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.009132"
                                 y3="-2.765464"
                                 z3="-0.490458"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.904697"
                                 y3="-1.622606"
                                 z3="-0.477895"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.55145"
                                 y3="-0.893151"
                                 z3="0.981529"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.582891"
                                 y3="-2.156332"
                                 z3="-1.027212"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.178121"
                                 y3="-0.980028"
                                 z3="3.400643"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.634685"
                                 y3="2.892914"
                                 z3="-3.70481"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0699,.9222,-2.3718;1.2571,-.362,-2.7879;2.3529,-1.2784,-1.3158;2.6167,-1.6715,.5915;1.7349,-1.198,2.2507;.2078,-.2699,3.4057;-1.2802,.2934,2.4536;-2.8065,.8019,.9267;-2.9986,1.9693,-.4597;-1.5166,2.2826,-1.4985;.9048,-2.7388,2.5208;3.0395,-1.2665,3.4211;3.5086,.0604,-1.3428;3.1938,-2.5742,-2.1417;.9757,2.6135,-2.8319;-.8486,1.0832,-3.9499;-3.5098,3.5439,.1852;-4.3246,1.3753,-1.4812;-2.2027,1.1572,3.6831;-2.5076,-1.297,2.7638;-.4182,1.8456,1.6488;1.9664,.7099,1.706;.8749,1.1494,-.64;1.7322,3.2981,.8765;1.0847,1.8432,.8537;-1.2745,-.3995,-1.602;-2.0091,-2.7655,-.4905;-.9047,-1.6226,-.4779;-.5514,-.8932,.9815;.5829,-2.1563,-1.0272;-3.1781,-.98,3.4006;.6347,2.8929,-3.7048;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">30</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">30</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81349890</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00614601</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">0.00138365</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">0.00614601</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00138365</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01485829</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">0.00608747</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="-0.065348"
                                 y3="0.911628"
                                 z3="-2.377292"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.25833"
                                 y3="-0.362842"
                                 z3="-2.792571"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.355721"
                                 y3="-1.276664"
                                 z3="-1.305128"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.624136"
                                 y3="-1.667991"
                                 z3="0.597475"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.727584"
                                 y3="-1.196523"
                                 z3="2.25657"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.20611"
                                 y3="-0.273861"
                                 z3="3.403263"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.282142"
                                 y3="0.295019"
                                 z3="2.45048"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.804743"
                                 y3="0.809518"
                                 z3="0.933016"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-3.001926"
                                 y3="1.975521"
                                 z3="-0.456273"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.518854"
                                 y3="2.281317"
                                 z3="-1.49357"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.903028"
                                 y3="-2.742514"
                                 z3="2.510814"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.0263"
                                 y3="-1.263042"
                                 z3="3.433397"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.498551"
                                 y3="0.072034"
                                 z3="-1.352213"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.202026"
                                 y3="-2.569136"
                                 z3="-2.130225"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.973788"
                                 y3="2.609844"
                                 z3="-2.83707"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.852385"
                                 y3="1.081943"
                                 z3="-3.950541"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.504757"
                                 y3="3.550572"
                                 z3="0.191795"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.329393"
                                 y3="1.385894"
                                 z3="-1.477912"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.199519"
                                 y3="1.14847"
                                 z3="3.690536"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.506991"
                                 y3="-1.303385"
                                 z3="2.753608"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.415357"
                                 y3="1.845731"
                                 z3="1.655285"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.967351"
                                 y3="0.711148"
                                 z3="1.705127"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.871354"
                                 y3="1.142841"
                                 z3="-0.639711"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.734192"
                                 y3="3.297015"
                                 z3="0.873339"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.083972"
                                 y3="1.843378"
                                 z3="0.85183"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.278924"
                                 y3="-0.40386"
                                 z3="-1.611595"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.012655"
                                 y3="-2.759109"
                                 z3="-0.490867"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.906462"
                                 y3="-1.61734"
                                 z3="-0.481689"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.543094"
                                 y3="-0.886385"
                                 z3="0.97376"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.582778"
                                 y3="-2.156691"
                                 z3="-1.026625"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.166322"
                                 y3="-0.991784"
                                 z3="3.404784"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.640051"
                                 y3="2.878056"
                                 z3="-3.716106"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0653,.9116,-2.3773;1.2583,-.3628,-2.7926;2.3557,-1.2767,-1.3051;2.6241,-1.668,.5975;1.7276,-1.1965,2.2566;.2061,-.2739,3.4033;-1.2821,.295,2.4505;-2.8047,.8095,.933;-3.0019,1.9755,-.4563;-1.5189,2.2813,-1.4936;.903,-2.7425,2.5108;3.0263,-1.263,3.4334;3.4986,.072,-1.3522;3.202,-2.5691,-2.1302;.9738,2.6098,-2.8371;-.8524,1.0819,-3.9505;-3.5048,3.5506,.1918;-4.3294,1.3859,-1.4779;-2.1995,1.1485,3.6905;-2.507,-1.3034,2.7536;-.4154,1.8457,1.6553;1.9674,.7111,1.7051;.8714,1.1428,-.6397;1.7342,3.297,.8733;1.084,1.8434,.8518;-1.2789,-.4039,-1.6116;-2.0127,-2.7591,-.4909;-.9065,-1.6173,-.4817;-.5431,-.8864,.9738;.5828,-2.1567,-1.0266;-3.1663,-.9918,3.4048;.6401,2.8781,-3.7161;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">31</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">31</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81360917</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00462014</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">0.00110534</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">0.00462014</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00110534</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01154691</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">0.00442725</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="-0.061521"
                                 y3="0.904585"
                                 z3="-2.381353"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.258923"
                                 y3="-0.364894"
                                 z3="-2.796224"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.357646"
                                 y3="-1.276271"
                                 z3="-1.296704"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.628936"
                                 y3="-1.66414"
                                 z3="0.601201"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.72108"
                                 y3="-1.194453"
                                 z3="2.260796"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.204629"
                                 y3="-0.275882"
                                 z3="3.399512"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.285914"
                                 y3="0.297344"
                                 z3="2.447013"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.80415"
                                 y3="0.813278"
                                 z3="0.938973"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-3.000837"
                                 y3="1.979846"
                                 z3="-0.452542"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.518557"
                                 y3="2.281769"
                                 z3="-1.488887"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.90262"
                                 y3="-2.745567"
                                 z3="2.502316"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.014753"
                                 y3="-1.259977"
                                 z3="3.442695"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.490654"
                                 y3="0.079456"
                                 z3="-1.358784"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.205959"
                                 y3="-2.566712"
                                 z3="-2.122796"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.973102"
                                 y3="2.607822"
                                 z3="-2.838553"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.853473"
                                 y3="1.080118"
                                 z3="-3.951647"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.497919"
                                 y3="3.556041"
                                 z3="0.197122"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.330994"
                                 y3="1.394018"
                                 z3="-1.473273"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.199113"
                                 y3="1.14299"
                                 z3="3.695103"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.504152"
                                 y3="-1.308285"
                                 z3="2.747124"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.414531"
                                 y3="1.845977"
                                 z3="1.658146"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.968294"
                                 y3="0.712857"
                                 z3="1.705397"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.869604"
                                 y3="1.134968"
                                 z3="-0.640274"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.731388"
                                 y3="3.29597"
                                 z3="0.865895"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.082985"
                                 y3="1.841913"
                                 z3="0.848508"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.282377"
                                 y3="-0.405866"
                                 z3="-1.617582"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.012764"
                                 y3="-2.756921"
                                 z3="-0.488417"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.906635"
                                 y3="-1.614735"
                                 z3="-0.483488"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.53772"
                                 y3="-0.879811"
                                 z3="0.968346"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.583429"
                                 y3="-2.156215"
                                 z3="-1.027618"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.15846"
                                 y3="-1.001222"
                                 z3="3.405591"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.641513"
                                 y3="2.870799"
                                 z3="-3.719904"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0615,.9046,-2.3814;1.2589,-.3649,-2.7962;2.3576,-1.2763,-1.2967;2.6289,-1.6641,.6012;1.7211,-1.1945,2.2608;.2046,-.2759,3.3995;-1.2859,.2973,2.447;-2.8041,.8133,.939;-3.0008,1.9798,-.4525;-1.5186,2.2818,-1.4889;.9026,-2.7456,2.5023;3.0148,-1.26,3.4427;3.4907,.0795,-1.3588;3.206,-2.5667,-2.1228;.9731,2.6078,-2.8386;-.8535,1.0801,-3.9516;-3.4979,3.556,.1971;-4.331,1.394,-1.4733;-2.1991,1.143,3.6951;-2.5042,-1.3083,2.7471;-.4145,1.846,1.6581;1.9683,.7129,1.7054;.8696,1.135,-.6403;1.7314,3.296,.8659;1.083,1.8419,.8485;-1.2824,-.4059,-1.6176;-2.0128,-2.7569,-.4884;-.9066,-1.6147,-.4835;-.5377,-.8798,.9683;.5834,-2.1562,-1.0276;-3.1585,-1.0012,3.4056;.6415,2.8708,-3.7199;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">32</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">32</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81357654</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00461590</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">0.00108065</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">0.00461590</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00108065</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00932601</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">0.00371006</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="-0.059204"
                                 y3="0.900202"
                                 z3="-2.383507"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.259092"
                                 y3="-0.367709"
                                 z3="-2.799112"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.358589"
                                 y3="-1.27741"
                                 z3="-1.290893"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.631642"
                                 y3="-1.660073"
                                 z3="0.603643"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.716774"
                                 y3="-1.19237"
                                 z3="2.265152"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.203406"
                                 y3="-0.277142"
                                 z3="3.395025"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.290439"
                                 y3="0.300794"
                                 z3="2.443151"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.805442"
                                 y3="0.814601"
                                 z3="0.942982"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.999255"
                                 y3="1.9840"
                                 z3="-0.449124"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.519141"
                                 y3="2.284316"
                                 z3="-1.484443"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.904578"
                                 y3="-2.748596"
                                 z3="2.494695"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.00687"
                                 y3="-1.256878"
                                 z3="3.450622"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.485872"
                                 y3="0.082538"
                                 z3="-1.361876"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.205876"
                                 y3="-2.567712"
                                 z3="-2.118853"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.973554"
                                 y3="2.605762"
                                 z3="-2.837749"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.854408"
                                 y3="1.078923"
                                 z3="-3.951796"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.493057"
                                 y3="3.560185"
                                 z3="0.20367"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.331275"
                                 y3="1.401951"
                                 z3="-1.470145"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.202635"
                                 y3="1.139248"
                                 z3="3.696499"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.498052"
                                 y3="-1.312564"
                                 z3="2.740806"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.412643"
                                 y3="1.847805"
                                 z3="1.660254"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.969969"
                                 y3="0.715785"
                                 z3="1.705967"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.866348"
                                 y3="1.128658"
                                 z3="-0.640202"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.728344"
                                 y3="3.296495"
                                 z3="0.857901"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.083363"
                                 y3="1.841015"
                                 z3="0.844865"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.284467"
                                 y3="-0.407419"
                                 z3="-1.620304"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.011298"
                                 y3="-2.757316"
                                 z3="-0.483466"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.905989"
                                 y3="-1.614555"
                                 z3="-0.483093"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.533812"
                                 y3="-0.872331"
                                 z3="0.963308"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.583802"
                                 y3="-2.15628"
                                 z3="-1.029118"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.152966"
                                 y3="-1.010548"
                                 z3="3.401159"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.642404"
                                 y3="2.865427"
                                 z3="-3.720328"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0592,.9002,-2.3835;1.2591,-.3677,-2.7991;2.3586,-1.2774,-1.2909;2.6316,-1.6601,.6036;1.7168,-1.1924,2.2652;.2034,-.2771,3.395;-1.2904,.3008,2.4432;-2.8054,.8146,.943;-2.9993,1.984,-.4491;-1.5191,2.2843,-1.4844;.9046,-2.7486,2.4947;3.0069,-1.2569,3.4506;3.4859,.0825,-1.3619;3.2059,-2.5677,-2.1189;.9736,2.6058,-2.8377;-.8544,1.0789,-3.9518;-3.4931,3.5602,.2037;-4.3313,1.402,-1.4701;-2.2026,1.1392,3.6965;-2.4981,-1.3126,2.7408;-.4126,1.8478,1.6603;1.97,.7158,1.706;.8663,1.1287,-.6402;1.7283,3.2965,.8579;1.0834,1.841,.8449;-1.2845,-.4074,-1.6203;-2.0113,-2.7573,-.4835;-.906,-1.6146,-.4831;-.5338,-.8723,.9633;.5838,-2.1563,-1.0291;-3.153,-1.0105,3.4012;.6424,2.8654,-3.7203;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">33</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">33</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81357672</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00330529</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">0.00081650</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">0.00330529</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00081650</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01197406</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">0.00339824</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="-0.057799"
                                 y3="0.897296"
                                 z3="-2.385062"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.258198"
                                 y3="-0.371545"
                                 z3="-2.802121"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.359317"
                                 y3="-1.278895"
                                 z3="-1.286485"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.630859"
                                 y3="-1.654981"
                                 z3="0.604892"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.712398"
                                 y3="-1.190053"
                                 z3="2.270025"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.201815"
                                 y3="-0.27691"
                                 z3="3.389666"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.296455"
                                 y3="0.305509"
                                 z3="2.438678"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.806933"
                                 y3="0.812004"
                                 z3="0.945946"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.995587"
                                 y3="1.986518"
                                 z3="-0.445617"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.518934"
                                 y3="2.288081"
                                 z3="-1.480294"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.90753"
                                 y3="-2.75162"
                                 z3="2.488993"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.001661"
                                 y3="-1.255052"
                                 z3="3.456231"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.485927"
                                 y3="0.082007"
                                 z3="-1.36368"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.204705"
                                 y3="-2.570227"
                                 z3="-2.115747"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.974124"
                                 y3="2.603481"
                                 z3="-2.834457"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.856063"
                                 y3="1.080056"
                                 z3="-3.95127"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.4890"
                                 y3="3.56189"
                                 z3="0.210026"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.329009"
                                 y3="1.40769"
                                 z3="-1.466619"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.207142"
                                 y3="1.139379"
                                 z3="3.695647"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.491804"
                                 y3="-1.313847"
                                 z3="2.738119"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.410606"
                                 y3="1.849465"
                                 z3="1.659489"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.97136"
                                 y3="0.718872"
                                 z3="1.706297"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.863459"
                                 y3="1.122126"
                                 z3="-0.640339"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.726239"
                                 y3="3.296836"
                                 z3="0.845927"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.08484"
                                 y3="1.839576"
                                 z3="0.840616"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.284393"
                                 y3="-0.407788"
                                 z3="-1.61975"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.007245"
                                 y3="-2.760434"
                                 z3="-0.481668"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.903704"
                                 y3="-1.616481"
                                 z3="-0.481692"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.532155"
                                 y3="-0.86786"
                                 z3="0.960761"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.585067"
                                 y3="-2.156513"
                                 z3="-1.03157"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.152496"
                                 y3="-1.016569"
                                 z3="3.394998"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.638226"
                                 y3="2.86679"
                                 z3="-3.714251"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0578,.8973,-2.3851;1.2582,-.3715,-2.8021;2.3593,-1.2789,-1.2865;2.6309,-1.655,.6049;1.7124,-1.1901,2.27;.2018,-.2769,3.3897;-1.2965,.3055,2.4387;-2.8069,.812,.9459;-2.9956,1.9865,-.4456;-1.5189,2.2881,-1.4803;.9075,-2.7516,2.489;3.0017,-1.2551,3.4562;3.4859,.082,-1.3637;3.2047,-2.5702,-2.1157;.9741,2.6035,-2.8345;-.8561,1.0801,-3.9513;-3.489,3.5619,.21;-4.329,1.4077,-1.4666;-2.2071,1.1394,3.6956;-2.4918,-1.3138,2.7381;-.4106,1.8495,1.6595;1.9714,.7189,1.7063;.8635,1.1221,-.6403;1.7262,3.2968,.8459;1.0848,1.8396,.8406;-1.2844,-.4078,-1.6198;-2.0072,-2.7604,-.4817;-.9037,-1.6165,-.4817;-.5322,-.8679,.9608;.5851,-2.1565,-1.0316;-3.1525,-1.0166,3.395;.6382,2.8668,-3.7143;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">34</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">34</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81355846</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00223573</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">0.00057807</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">0.00223573</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00057807</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00797931</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">0.00245644</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="-0.056985"
                                 y3="0.894546"
                                 z3="-2.386168"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.257287"
                                 y3="-0.373759"
                                 z3="-2.804933"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.36007"
                                 y3="-1.279533"
                                 z3="-1.283979"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.628281"
                                 y3="-1.650658"
                                 z3="0.605881"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.708737"
                                 y3="-1.187898"
                                 z3="2.273969"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.200068"
                                 y3="-0.276282"
                                 z3="3.386182"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.300664"
                                 y3="0.309256"
                                 z3="2.434792"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.806902"
                                 y3="0.807127"
                                 z3="0.946326"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.993864"
                                 y3="1.986606"
                                 z3="-0.444035"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.519127"
                                 y3="2.290591"
                                 z3="-1.478386"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.909063"
                                 y3="-2.752662"
                                 z3="2.487767"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.000071"
                                 y3="-1.254464"
                                 z3="3.458055"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.488279"
                                 y3="0.080524"
                                 z3="-1.367597"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.205791"
                                 y3="-2.571894"
                                 z3="-2.111537"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.974753"
                                 y3="2.600985"
                                 z3="-2.83107"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.85912"
                                 y3="1.084493"
                                 z3="-3.949701"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.487979"
                                 y3="3.560098"
                                 z3="0.214892"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.326948"
                                 y3="1.409953"
                                 z3="-1.465861"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.207554"
                                 y3="1.142172"
                                 z3="3.694848"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.490139"
                                 y3="-1.312744"
                                 z3="2.738374"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.408611"
                                 y3="1.849577"
                                 z3="1.657595"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.972316"
                                 y3="0.720722"
                                 z3="1.705436"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.861018"
                                 y3="1.118269"
                                 z3="-0.640559"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.728317"
                                 y3="3.296553"
                                 z3="0.837948"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.087057"
                                 y3="1.839296"
                                 z3="0.838268"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.283059"
                                 y3="-0.408089"
                                 z3="-1.619435"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.005482"
                                 y3="-2.762166"
                                 z3="-0.484576"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.902129"
                                 y3="-1.617891"
                                 z3="-0.481393"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.532833"
                                 y3="-0.868607"
                                 z3="0.960483"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.586137"
                                 y3="-2.15758"
                                 z3="-1.032481"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.153845"
                                 y3="-1.018803"
                                 z3="3.393618"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.634392"
                                 y3="2.871063"
                                 z3="-3.707035"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.057,.8945,-2.3862;1.2573,-.3738,-2.8049;2.3601,-1.2795,-1.284;2.6283,-1.6507,.6059;1.7087,-1.1879,2.274;.2001,-.2763,3.3862;-1.3007,.3093,2.4348;-2.8069,.8071,.9463;-2.9939,1.9866,-.444;-1.5191,2.2906,-1.4784;.9091,-2.7527,2.4878;3.0001,-1.2545,3.4581;3.4883,.0805,-1.3676;3.2058,-2.5719,-2.1115;.9748,2.601,-2.8311;-.8591,1.0845,-3.9497;-3.488,3.5601,.2149;-4.3269,1.41,-1.4659;-2.2076,1.1422,3.6948;-2.4901,-1.3127,2.7384;-.4086,1.8496,1.6576;1.9723,.7207,1.7054;.861,1.1183,-.6406;1.7283,3.2966,.8379;1.0871,1.8393,.8383;-1.2831,-.4081,-1.6194;-2.0055,-2.7622,-.4846;-.9021,-1.6179,-.4814;-.5328,-.8686,.9605;.5861,-2.1576,-1.0325;-3.1538,-1.0188,3.3936;.6344,2.8711,-3.707;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">35</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">35</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81355878</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00187700</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">0.00044727</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">0.00187700</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00044727</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00769744</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">0.00224781</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="-0.056771"
                                 y3="0.893753"
                                 z3="-2.386022"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.257529"
                                 y3="-0.373446"
                                 z3="-2.806742"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.360036"
                                 y3="-1.280406"
                                 z3="-1.284382"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.62468"
                                 y3="-1.64818"
                                 z3="0.605892"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.707111"
                                 y3="-1.186136"
                                 z3="2.276136"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.198705"
                                 y3="-0.275695"
                                 z3="3.384135"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.302962"
                                 y3="0.311833"
                                 z3="2.431561"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.805924"
                                 y3="0.800915"
                                 z3="0.944168"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.994585"
                                 y3="1.984509"
                                 z3="-0.444426"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.520778"
                                 y3="2.292142"
                                 z3="-1.478759"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.909962"
                                 y3="-2.752247"
                                 z3="2.489602"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.00204"
                                 y3="-1.253869"
                                 z3="3.456522"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.490524"
                                 y3="0.077895"
                                 z3="-1.370441"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.206009"
                                 y3="-2.57441"
                                 z3="-2.109014"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.97736"
                                 y3="2.599456"
                                 z3="-2.826458"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.860374"
                                 y3="1.089807"
                                 z3="-3.948283"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.489733"
                                 y3="3.555736"
                                 z3="0.21806"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.32681"
                                 y3="1.408749"
                                 z3="-1.467206"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.20525"
                                 y3="1.146678"
                                 z3="3.693662"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.491007"
                                 y3="-1.310658"
                                 z3="2.740824"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.407066"
                                 y3="1.849648"
                                 z3="1.655745"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.973257"
                                 y3="0.722077"
                                 z3="1.704338"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.858758"
                                 y3="1.117584"
                                 z3="-0.640554"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.731219"
                                 y3="3.296889"
                                 z3="0.834126"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.089169"
                                 y3="1.840253"
                                 z3="0.837459"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.281707"
                                 y3="-0.409012"
                                 z3="-1.620466"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.005801"
                                 y3="-2.763369"
                                 z3="-0.487472"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.901815"
                                 y3="-1.619319"
                                 z3="-0.481923"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.535805"
                                 y3="-0.87176"
                                 z3="0.960946"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.586016"
                                 y3="-2.15938"
                                 z3="-1.03282"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.154622"
                                 y3="-1.018107"
                                 z3="3.396818"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.635035"
                                 y3="2.876871"
                                 z3="-3.699337"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0568,.8938,-2.386;1.2575,-.3734,-2.8067;2.36,-1.2804,-1.2844;2.6247,-1.6482,.6059;1.7071,-1.1861,2.2761;.1987,-.2757,3.3841;-1.303,.3118,2.4316;-2.8059,.8009,.9442;-2.9946,1.9845,-.4444;-1.5208,2.2921,-1.4788;.91,-2.7522,2.4896;3.002,-1.2539,3.4565;3.4905,.0779,-1.3704;3.206,-2.5744,-2.109;.9774,2.5995,-2.8265;-.8604,1.0898,-3.9483;-3.4897,3.5557,.2181;-4.3268,1.4087,-1.4672;-2.2052,1.1467,3.6937;-2.491,-1.3107,2.7408;-.4071,1.8496,1.6557;1.9733,.7221,1.7043;.8588,1.1176,-.6406;1.7312,3.2969,.8341;1.0892,1.8403,.8375;-1.2817,-.409,-1.6205;-2.0058,-2.7634,-.4875;-.9018,-1.6193,-.4819;-.5358,-.8718,.9609;.586,-2.1594,-1.0328;-3.1546,-1.0181,3.3968;.635,2.8769,-3.6993;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">36</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">36</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81356142</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00123555</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">0.00030283</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">0.00123555</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00030283</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00414728</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">0.00121718</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="-0.056238"
                                 y3="0.893504"
                                 z3="-2.386247"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.257897"
                                 y3="-0.372718"
                                 z3="-2.807911"/>
                           <atom elementType="Mo"
                                 id="a3"
                                 x3="2.359839"
                                 y3="-1.280421"
                                 z3="-1.284402"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.623182"
                                 y3="-1.646941"
                                 z3="0.605842"/>
                           <atom elementType="Mo"
                                 id="a5"
                                 x3="1.706216"
                                 y3="-1.185291"
                                 z3="2.276954"/>
                           <atom elementType="O"
                                 id="a6"
                                 x3="0.197966"
                                 y3="-0.275689"
                                 z3="3.382957"/>
                           <atom elementType="Mo"
                                 id="a7"
                                 x3="-1.304018"
                                 y3="0.31247"
                                 z3="2.429661"/>
                           <atom elementType="O"
                                 id="a8"
                                 x3="-2.804773"
                                 y3="0.797133"
                                 z3="0.942886"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.994355"
                                 y3="1.982885"
                                 z3="-0.444617"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-1.521037"
                                 y3="2.292947"
                                 z3="-1.478968"/>
                           <atom elementType="O"
                                 id="a11"
                                 x3="0.910491"
                                 y3="-2.752185"
                                 z3="2.490555"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="3.002564"
                                 y3="-1.252995"
                                 z3="3.455814"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="3.49053"
                                 y3="0.077492"
                                 z3="-1.372222"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="3.206049"
                                 y3="-2.57559"
                                 z3="-2.106891"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.978835"
                                 y3="2.599297"
                                 z3="-2.824811"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.860503"
                                 y3="1.091971"
                                 z3="-3.947903"/>
                           <atom elementType="O"
                                 id="a17"
                                 x3="-3.490155"
                                 y3="3.552694"
                                 z3="0.220249"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-4.3262"
                                 y3="1.407896"
                                 z3="-1.468172"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-2.203497"
                                 y3="1.148751"
                                 z3="3.692885"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="-2.492467"
                                 y3="-1.309791"
                                 z3="2.742964"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="-0.406852"
                                 y3="1.84949"
                                 z3="1.654331"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="1.973487"
                                 y3="0.722764"
                                 z3="1.704248"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="0.85832"
                                 y3="1.1171"
                                 z3="-0.640742"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="1.731883"
                                 y3="3.297206"
                                 z3="0.833808"/>
                           <atom elementType="Si"
                                 id="a25"
                                 x3="1.089839"
                                 y3="1.840735"
                                 z3="0.836984"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.28163"
                                 y3="-0.409066"
                                 z3="-1.621358"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-2.007085"
                                 y3="-2.763211"
                                 z3="-0.48893"/>
                           <atom elementType="Si"
                                 id="a28"
                                 x3="-0.902357"
                                 y3="-1.619677"
                                 z3="-0.482868"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="-0.537198"
                                 y3="-0.874245"
                                 z3="0.961092"/>
                           <atom elementType="O"
                                 id="a30"
                                 x3="0.585342"
                                 y3="-2.159988"
                                 z3="-1.033646"/>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-3.153957"
                                 y3="-1.016944"
                                 z3="3.400965"/>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.636283"
                                 y3="2.879219"
                                 z3="-3.696821"/>
                        </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 a29" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a21" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a9 a17" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a18" order="S"/>
                           <bond atomRefs2="a15 a32" order="S"/>
                           <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">903.8572000000007</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0562,.8935,-2.3862;1.2579,-.3727,-2.8079;2.3598,-1.2804,-1.2844;2.6232,-1.6469,.6058;1.7062,-1.1853,2.277;.198,-.2757,3.383;-1.304,.3125,2.4297;-2.8048,.7971,.9429;-2.9944,1.9829,-.4446;-1.521,2.2929,-1.479;.9105,-2.7522,2.4906;3.0026,-1.253,3.4558;3.4905,.0775,-1.3722;3.206,-2.5756,-2.1069;.9788,2.5993,-2.8248;-.8605,1.092,-3.9479;-3.4902,3.5527,.2202;-4.3262,1.4079,-1.4682;-2.2035,1.1488,3.6929;-2.4925,-1.3098,2.743;-.4069,1.8495,1.6543;1.9735,.7228,1.7042;.8583,1.1171,-.6407;1.7319,3.2972,.8338;1.0898,1.8407,.837;-1.2816,-.4091,-1.6214;-2.0071,-2.7632,-.4889;-.9024,-1.6197,-.4829;-.5372,-.8742,.9611;.5853,-2.16,-1.0336;-3.154,-1.0169,3.401;.6363,2.8792,-3.6968;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">37</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">37</scalar>
                        <scalar dataType="xsd:string" dictRef="x:converged">CONVERGED</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.81358920</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00083343</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">0.00026302</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">0.00083343</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00026302</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00962525</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">0.00200767</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">-6</scalar>
                     </module>
                  </module>
                  <module cmlx:templateRef="adf.frequencyanalysis">
                     <module cmlx:templateRef="masses">
                        <array dataType="xsd:string" dictRef="cc:elementType" size="32">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 H</array>
                        <array dataType="xsd:double" dictRef="cc:atomicmass" size="32">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 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">17237.0739 20742.7497 29381.1441</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">46.318</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:rotat"
                                      units="nonsi2:cal.mol-1.K-1">37.594</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:vibrat"
                                      units="nonsi2:cal.mol-1.K-1">125.677</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:total"
                                      units="nonsi2:cal.mol-1.K-1">209.589</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">82.160</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi2:kcal.mol-1">83.937</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">120.804</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:total"
                                      units="nonsi2:cal.mol-1.K-1">126.766</scalar>
                           </list>
                        </module>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">12461.74</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">370.84</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">13160.84</scalar>
               </property>
               <property dictRef="cc:zeropoint">
                  <scalar dataType="xsd:double"
                          dictRef="cc:zeropoint"
                          units="nonsi:electronvolt">2.685239</scalar>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
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                     <array dataType="xsd:string" dictRef="cc:elementType" size="32">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 H</array>
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               <property>
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                               dictRef="a:oldfreq"
                               size="1"
                               units="nonsi:cm-1">-31.222</array>
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                               dictRef="a:newfreq"
                               size="1"
                               units="nonsi:cm-1">-10.597</array>
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                               dictRef="a:dipolederivX"
                               size="1"
                               units="nonsi:hartree">0.058</array>
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                               dictRef="a:dipolederivY"
                               size="1"
                               units="nonsi:hartree">0.019</array>
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                               dictRef="a:dipolederivZ"
                               size="1"
                               units="nonsi:hartree">0.009</array>
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                               size="1"
                               units="nonsi2:km.mol-1">3.741</array>
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                               size="1"
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                               dictRef="cc:redmass"
                               size="1"
                               units="nonsi:hartree">40.577566</array>
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                        </list>
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                                   dictRef="cc:transl"
                                   units="nonsi2:cal.mol-1.K-1">2.981</scalar>
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                                   units="nonsi2:cal.mol-1.K-1">120.804</scalar>
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                                   dictRef="cc:total"
                                   units="nonsi2:cal.mol-1.K-1">126.766</scalar>
                        </list>
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                        id="a32"
                        x3="0.636283"
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                  <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="a7 a21" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a17" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a15 a32" order="S"/>
                  <bond atomRefs2="a20 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="H2Mo5O23Si2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">903.8572000000007</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/5Mo.2O4Si.2H2O.13O/c;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;/h;;;;;;;2*1H2;;;;;;;;;;;;;/q;2*+1;2*+3;2*-3;;;;;;;;;;;;;;;/p-2/rH2Mo5O23Si2/c6-1(7)18-4(12,13)21-2(8,9)20-3(10,11)22-5(14,15,19-1,26-30(17,24-3)27-4)28-29(16,23-2)25-4/h12,14H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9;3;5;1;7;21,22,23,24,25;26,27,29,30,28;15;20;2;4;6;8;10;11;12;13;14;16;17;18;19/E:;;;;;2*(1,2,3,4);;;;;;;;;;;;;;;/CRV:;;;;;1-1,2-1,3-1,4.1;1-1,2.1,3-1,4-1;;;;;;;;;;;;;;;/rA:32nMoOMoOMoOMoOMoOO1O1O1O1OO1O1O1O1OOOOO1SiOO1SiOOHH/rB:s1;s2;s3;s4;s5;s6;s7;s8;s1s9;s5;s5;s3;s3;s1;s1;s9;s9;s7;s7;s7;s5;s1;;s21s22s23s24;s1;;s26s27;s7s28;s3s28;s20;s15;/rC:-.0562,.8935,-2.3862;1.2579,-.3727,-2.8079;2.3598,-1.2804,-1.2844;2.6232,-1.6469,.6058;1.7062,-1.1853,2.277;.198,-.2757,3.383;-1.304,.3125,2.4297;-2.8048,.7971,.9429;-2.9944,1.9829,-.4446;-1.521,2.2929,-1.479;.9105,-2.7522,2.4906;3.0026,-1.253,3.4558;3.4905,.0775,-1.3722;3.206,-2.5756,-2.1069;.9788,2.5993,-2.8248;-.8605,1.092,-3.9479;-3.4902,3.5527,.2202;-4.3262,1.4079,-1.4682;-2.2035,1.1488,3.6929;-2.4925,-1.3098,2.743;-.4069,1.8495,1.6543;1.9735,.7228,1.7042;.8583,1.1171,-.6407;1.7319,3.2972,.8338;1.0898,1.8407,.837;-1.2816,-.4091,-1.6214;-2.0071,-2.7632,-.4889;-.9024,-1.6197,-.4829;-.5372,-.8742,.9611;.5853,-2.16,-1.0336;-3.154,-1.0169,3.401;.6363,2.8792,-3.6968;/R:/0/N:9,3,5,1,7,17,18,13,14,11,12,15,16,20,19,27,24,10,8,4,2,6,30,22,26,21,23,29,28,25/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,14)(13,15)(16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)/CRV:6.1,7.1,8.1,9.1,10.1,11.1,13.1,15.1,16.1,17.1</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">-5.641 -5.557 -5.502 -5.490 -5.355 -5.232 -4.784 -4.753 -4.694 -4.591 -2.574 -2.546 -2.488 -2.397 -2.179 -2.163 -1.956 -1.860 -1.628 -1.553</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">0.00027180128471</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00012169548829</scalar>
               </module>
               <module cmlx:templateRef="qtaim" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="atoms">
                     <array dataType="xsd:integer" dictRef="a:id" size="32">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</array>
                     <array dataType="xsd:integer" dictRef="cc:atomicNumber" size="32">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 1</array>
                     <array dataType="xsd:double" dictRef="x:coords" size="96">-0.056238 0.893504 -2.386247 2.359838 -1.280421 -1.284402 1.706216 -1.185291 2.276954 -1.304018 0.312470 2.429661 -2.994355 1.982885 -0.444617 1.257897 -0.372718 -2.807911 2.623182 -1.646941 0.605842 0.197966 -0.275689 3.382957 -2.804773 0.797133 0.942886 -1.521037 2.292946 -1.478968 0.910491 -2.752185 2.490555 3.002564 -1.252995 3.455814 3.490530 0.077492 -1.372222 3.206049 -2.575590 -2.106891 0.978835 2.599296 -2.824811 -0.860503 1.091971 -3.947903 -3.490155 3.552694 0.220249 -4.326200 1.407896 -1.468172 -2.203497 1.148751 3.692885 -2.492467 -1.309791 2.742963 -0.406852 1.849490 1.654331 1.973487 0.722764 1.704248 0.858320 1.117100 -0.640742 1.731883 3.297206 0.833808 -1.281629 -0.409066 -1.621358 -2.007085 -2.763211 -0.488930 -0.537198 -0.874245 0.961092 0.585342 -2.159988 -1.033646 1.089839 1.840735 0.836984 -0.902357 -1.619677 -0.482868 -3.153957 -1.016944 3.400965 0.636283 2.879218 -3.696821</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">-0.056238</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.893504</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.386247</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">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">2.359838</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.280421</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.284402</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">1.706216</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.185291</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.276954</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">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">-1.304018</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.312470</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.429661</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">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">-2.994355</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.982885</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.444617</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240655E+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">1.257897</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.372718</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.807911</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190945E+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">2.623182</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.646941</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.605842</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189512E+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">0.197966</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.275689</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.382957</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3191003E+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">-2.804773</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.797133</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.942886</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190462E+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">-1.521037</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.292946</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.478968</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3190869E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">11</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.910491</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.752185</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.490555</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193407E+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">3.002564</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.252995</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.455814</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193403E+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">3.490530</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.077492</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.372222</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193422E+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">3.206049</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.575590</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.106891</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193405E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">15</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.978835</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.599296</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.824811</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188875E+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">-0.860503</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.091971</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.947903</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193455E+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">-3.490155</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.552694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.220249</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192460E+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">-4.326200</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.407896</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.468172</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3192475E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">19</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.203497</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.148751</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.692885</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193635E+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">-2.492467</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.309791</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.742963</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188931E+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">-0.406852</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.849490</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.654331</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188466E+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">1.973487</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.722764</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.704248</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187787E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">23</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.858320</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.117100</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.640742</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187515E+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">1.731883</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.297206</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.833808</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187794E+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">-1.281629</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.409066</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.621358</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188439E+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">-2.007085</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.763211</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.488930</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187803E+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">-0.537198</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.874245</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.961092</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187304E+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">0.585342</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.159988</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.033646</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187930E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">29</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.089839</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.840735</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.836984</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1943371E+04</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">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">-0.902357</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.619677</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.482868</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1943373E+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">-3.153957</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.016944</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.400965</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4802189E+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">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.636283</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.879218</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.696821</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4810185E+00</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">33</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.757364</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.941272</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.007150</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5596563E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5952918E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4879650E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2598838E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2207327E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2106669E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5266673E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4498651E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5770576E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1904128E+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">0.4017644E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2768616E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1249029E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7338606E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1726750E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9733085E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4895977E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2819631E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4249953E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1987976E+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">1.129981</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.475436</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.228414</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5013114E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9775913E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9545019E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1923900E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8716035E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1754689E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4386723E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1163096E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5766678E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5307930E+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">0.3346095E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2305468E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1040627E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6336681E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1474772E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6005051E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6628170E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5567858E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4296719E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9059892E+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">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.101722</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.072197</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.380823</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9798841E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1584284E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6632036E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4732214E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1358741E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3927387E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9818469E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1283759E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7872885E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1486464E+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">0.7833974E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5849479E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1984495E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1548643E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3589338E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1865388E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5715371E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4024462E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4314564E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3263808E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">36</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.007503</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.853723</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.027555</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3214774E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2577482E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2427676E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8855796E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2408366E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1303628E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3259070E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5993427E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3701492E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3498315E+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">0.2373770E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1488471E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8852997E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3504174E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7091524E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4160614E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8759267E-04</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5503328E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4941355E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4749956E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">37</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.818968</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.017994</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.073711</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6751474E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6508266E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4493230E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4232726E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2062145E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2595829E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6489573E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6443790E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6402281E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1731078E+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">0.5018849E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3548126E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1470723E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9424316E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2230474E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1206132E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5258883E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3237218E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4225252E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2293513E+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">-0.925872</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.315243</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.646315</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1044799E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1964062E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6950505E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1148851E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1433383E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4571544E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1142886E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5988860E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3493586E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5068035E-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">0.1427386E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1711885E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2844998E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3634366E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5597218E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4500047E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1260866E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1579544E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6493165E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3569011E+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">-0.818883</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.108031</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.006115</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1351789E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2695894E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9479993E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2080177E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1712226E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5380187E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1345047E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9534215E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4560341E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4071093E-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">0.1919010E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2492973E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5739632E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5123857E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7501612E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5622872E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1382334E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1808528E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6830341E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4067667E+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">-0.756472</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.307287</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.113565</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1320057E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2397205E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1236649E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1175413E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2085594E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6919022E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1729756E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1455320E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3408445E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2210144E-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">0.2135800E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2541844E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4060441E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4964116E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7301773E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7501034E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2344068E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3162945E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6798508E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3200008E+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">-0.284726</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.832739</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.709578</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1293939E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5882050E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1575841E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5213530E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2221339E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6671543E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1667886E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1365355E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3419086E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1863760E-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">0.2062365E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2456844E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3944790E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4833596E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7137788E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7194492E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2259945E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3035393E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6771839E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3183481E+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">0.641102</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.222133</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.594392</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1597529E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1806909E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1272041E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1225275E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3814858E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6268517E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1567129E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1354845E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5170463E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8973194E-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">0.2395217E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3223304E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8280875E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6402013E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9070733E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6823270E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1540515E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2061739E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7057879E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4429214E+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">0.163872</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.126732</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.169068</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1192382E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1009053E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7747574E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5806477E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2842312E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4532847E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1133212E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3663730E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9460942E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4722794E+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">0.9341619E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7351122E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1990497E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2011896E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4560533E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2767370E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1557867E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1091567E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4411537E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1776383E+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">0.519665</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.638384</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.161180</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1328922E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8185672E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3777134E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5668816E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4539053E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5751792E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1437948E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2208922E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8932560E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1269328E+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">0.1172708E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9074679E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2652400E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2324794E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5194064E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2793144E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5473998E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4352028E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4475867E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5102567E+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">0.415486</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.032916</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.460807</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1171256E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2218268E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9974294E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2998754E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1958551E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5361155E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1340289E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8046031E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3603916E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2820951E-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">0.1698574E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2056859E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3582851E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4232409E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6373662E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5419764E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1437433E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1838733E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6640466E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3770445E+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">0.138724</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.476167</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.676412</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1015794E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2323105E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9075310E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2135562E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1121531E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4028944E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1007236E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1362702E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8148880E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1465724E+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">0.8082880E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6093401E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1989479E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1624772E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3752150E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1923848E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5730605E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4082477E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4330243E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3357146E+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">0.470224</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.791471</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.624023</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1094422E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1629682E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1190691E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8580105E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7084753E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4013408E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1003352E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5609726E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4299401E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1360911E+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">0.1387870E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1772388E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3845180E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3866323E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5900493E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4001497E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1108880E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1403347E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6552542E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3608592E+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">0.305666</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.763762</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.012530</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2284634E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1001161E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8067249E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5453496E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2326204E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8626507E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2156627E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7126701E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1469398E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1706225E+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">0.1965908E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1775190E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1907185E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4787852E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9809043E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4890192E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8427946E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7457916E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4881059E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5802353E+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">1.357132</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.448636</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.834690</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1614747E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7002349E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3161037E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6229813E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4797588E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9611598E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2402900E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2474057E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3432878E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3614578E-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">0.2976743E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3550587E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5738438E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6494182E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9182062E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1082398E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2951650E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4110848E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7072683E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3667096E+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">1.806614</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.106496</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.144391</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6304748E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1957608E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2949324E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1798361E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7728226E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2327332E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5818331E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3485329E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6370903E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1232865E+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">0.4496688E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3175044E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1321643E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8602184E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2034864E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9432159E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2547297E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1669891E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4227399E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3702812E+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">-3.259964</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.820106</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.090083</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2065070E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2178011E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1272582E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1431147E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1636874E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7406908E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1851727E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2193056E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6712243E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1146064E-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">0.3306025E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4760323E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1454298E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9014983E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1215465E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8611858E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1716113E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2360980E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7416900E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5018234E+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">-2.076760</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.575090</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.648898</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7589989E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1229205E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8465417E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7718164E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8878938E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3040279E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7600697E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2703545E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3083910E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5674357E-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">0.8973775E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1034685E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1373078E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2373413E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3890007E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2780585E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8964236E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1049477E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6101308E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3101865E+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">-1.789288</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.753577</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.101132</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2120453E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7128387E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4080395E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4560967E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3655388E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8554051E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2138513E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2567660E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6074198E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8049509E-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">0.3590633E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5042754E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1452121E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9338773E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1252813E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9983979E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1914728E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2619427E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7454244E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5214307E+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">-1.047464</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.113584</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.946716</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1198998E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5496945E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9560951E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4026603E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3617838E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5863740E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1465935E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1075306E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3426121E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1075305E-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">0.1814368E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2162802E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3484334E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4366597E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6545544E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6189480E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1971553E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2599666E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6671099E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3139393E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">55</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.245681</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.857521</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.745060</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1343132E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1019017E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3151921E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5670886E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9673848E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5856643E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1464161E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2313898E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8929535E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1277896E+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">0.1194012E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9238628E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2701490E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2357997E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5260404E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2860250E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5713242E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4538847E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4482540E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5006352E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">56</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.687667</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.204667</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.965152</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1338917E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7518248E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2061387E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7183070E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8235532E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5323939E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1330985E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9316649E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4535612E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3799100E-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">0.1893462E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2455938E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5624769E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5058903E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7420465E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5550005E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1368978E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1788003E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6817502E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4054124E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">57</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.446938</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.372013</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.194253</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1320278E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1133003E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2908459E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8737372E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6600662E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6876492E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1719123E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1444294E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3430482E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1604660E-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">0.2128985E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2538848E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4098624E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4965224E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7303162E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7452410E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2324576E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3136016E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6798732E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3205922E+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">2.482427</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.461522</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.284098</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1325701E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1783764E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8414086E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2256970E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1767426E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5184322E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1296080E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9035459E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4581390E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3883029E-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">0.1853695E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2411310E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5576149E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4992437E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7337270E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5399760E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1351087E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1764804E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6804216E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3996603E+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">2.397611</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.221705</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.906981</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2181391E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4613663E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1880549E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1119947E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4061421E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7849251E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1962313E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2491504E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6939704E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1761117E-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">0.3577853E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5193394E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1615541E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9698320E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1294104E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9261278E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1800805E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2490453E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7494235E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5142855E+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">2.955804</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.549792</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.330572</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2094973E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3220145E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2072452E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2431323E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4036620E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8067039E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2016760E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2392870E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6312428E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2608450E-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">0.3466282E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4915803E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1449522E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9189453E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1235609E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9390258E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1819135E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2489638E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7437184E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5161936E+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">-2.209130</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.132112</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.994771</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1798464E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7669325E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4976217E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1402551E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5664685E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6760891E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1690223E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1687886E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5840436E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4572348E-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">0.2772088E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3853954E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1081865E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7497571E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1038077E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7583418E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1615548E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2192423E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7222561E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4694023E+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">-1.940340</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.524418</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.596539</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1115106E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2356180E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1065906E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1791644E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1097924E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4083487E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1020872E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5852954E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4359554E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1375301E+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">0.1422339E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1823806E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4014669E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3964056E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6027447E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4091585E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1127467E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1432469E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6576675E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3629006E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">63</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.472263</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.831310</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.170531</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1195449E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3757716E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3728637E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4502177E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1224664E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5850006E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1462502E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1070325E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3417240E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1244011E-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">0.1807954E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2153407E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3454526E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4349373E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6523526E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6172693E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1971435E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2598301E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6667211E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3131066E+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">1.411462</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.715101</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.143270</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1172385E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1830595E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1821053E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1822815E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4021712E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4856139E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1214035E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7182923E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3985098E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6287180E-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">0.1615698E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2017361E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4016631E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4237848E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6380644E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4894631E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1273668E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1625054E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6641724E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3842942E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">65</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.954515</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.403630</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.463287</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8034171E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3182269E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1205346E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1746420E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2657503E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3111764E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7779410E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6677740E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7136878E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1299254E+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">0.6111618E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4443827E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1667792E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1188429E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2797349E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1352351E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3575029E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2467639E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4248411E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3782770E+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">1.273968</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.017483</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.387225</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2087764E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5582278E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1498638E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5377101E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5190618E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8106726E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2026681E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2390710E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6245539E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2714228E-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">0.3460741E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4894800E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1434059E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9147312E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1230748E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9425518E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1825300E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2495832E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7432320E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5163818E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">67</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.173556</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.418396</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.386660</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1263936E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3076227E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1431418E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9199794E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2562783E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4996482E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1249120E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8219428E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4390262E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4015987E-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">0.1746741E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2244362E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4976208E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4684735E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6949963E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5144156E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1316292E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1705956E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6740661E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3908067E+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">1.773411</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.797072</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.064252</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9508304E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9339007E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7149954E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5051757E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3251915E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3526087E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8815218E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4118893E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3871018E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1049207E-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">0.1156412E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1431303E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2748906E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3205205E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5028175E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3394891E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9916517E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1219093E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6374489E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3423471E+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">1.817486</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.180246</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.960605</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1129542E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1419239E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1450968E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1346526E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4243292E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4744774E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1186193E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6713735E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3833258E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1334389E-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">0.1548627E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1911060E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3624332E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4032627E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6116240E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4740526E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1256078E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1592304E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6593312E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3774071E+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">-2.877633</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.359583</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.294760</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1748623E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2297044E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1160638E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1398621E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1977314E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6710530E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1677633E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1613348E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5615005E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3489453E-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">0.2688407E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3699182E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1010775E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7221822E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1005363E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7468681E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1606218E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2170721E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7183298E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4649854E+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">-1.364254</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.096164</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.484372</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1620225E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2503912E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1738374E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1801715E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3812214E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9678944E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2419736E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2499458E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3428288E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3718126E-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">0.2995749E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3571763E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5760134E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6523572E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9217516E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1090671E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2966656E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4133488E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7077364E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3676431E+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">-0.825716</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.607368</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.909021</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6710251E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3508123E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2910211E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1057869E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1648791E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2650712E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6626779E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2011197E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2880594E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4942306E-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">0.7599362E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8571946E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9725833E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2013895E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3380037E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2353424E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7914912E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8997301E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5958203E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2973406E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">73</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.561409</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.023743</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.598764</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2776333E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1651654E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2871759E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7803873E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1427055E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1035543E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2588857E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2305919E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1693940E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4544766E-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">0.2456799E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2324741E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1320578E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6208889E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1228825E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7323974E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3006913E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2703412E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5052702E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2435712E+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">-3.705218</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.677021</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.991140</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2066203E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5524313E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1439000E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1414182E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5331727E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7405991E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1851498E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2193484E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6719213E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1662379E-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">0.3307767E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4764035E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1456269E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9021577E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1216227E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8611517E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1714773E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2358918E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7417674E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5021957E+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">0.987391</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.544952</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.224159</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1323196E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8864576E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1570421E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3674369E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7912869E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7035997E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1758999E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1495713E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3365074E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1236404E-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">0.2159193E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2559387E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4001941E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4979863E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7321514E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7645568E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2406777E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3252748E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6801685E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3176683E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">76</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.503560</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.003745</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.920266</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1602513E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4013858E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3432584E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1903317E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8401212E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6244762E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1561190E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1362064E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5217148E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9549100E-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">0.2398287E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3235384E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8370967E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6428659E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9102941E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6809334E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1545336E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2072048E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7062179E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4406378E+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">0.910469</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.706063</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.837367</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9703308E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4964316E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3857757E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2351960E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2056800E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3616696E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9041740E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4350805E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3903920E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1538463E-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">0.1191086E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1477999E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2869124E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3293150E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5145680E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3502332E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1019394E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1259161E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6399834E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3435699E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">78</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.484263</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.008811</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.216951</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2090387E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2432225E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9725293E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4386275E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2185752E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8408347E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2102087E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2477393E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6034118E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1321771E-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">0.3515431E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4928776E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1413344E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9162643E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1232517E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9775525E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1885671E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2575986E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7434092E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5184109E+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">0.714857</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.811860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.493370</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3421622E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1711367E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1171396E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1163263E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4510308E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1663852E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4159631E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6230211E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6932423E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6617962E-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">0.2032966E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8225564E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6192597E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1767507E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2178859E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1703311E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5764060E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1407867E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8112073E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2955055E+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">2.812688</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.971574</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.724219</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2192134E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2991305E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2946862E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4542807E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2398797E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7701768E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1925442E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2470246E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7130738E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1460793E-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">0.3571932E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5218421E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1646490E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9762052E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1301404E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9105435E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1776387E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2462049E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7501169E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5125818E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">81</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.998289</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.082888</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.247491</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3418763E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8106488E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4074508E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6904955E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1197966E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1663110E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4157776E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6206356E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6925862E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6669790E-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">0.2027513E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8212802E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6185289E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1765538E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2176722E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1702489E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5752654E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1404943E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8110996E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2959485E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <list cmlx:templateRef="bondPaths">
                     <array dataType="xsd:integer" dictRef="a:bondPath" size="38">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</array>
                     <array dataType="xsd:integer" dictRef="a:cp" size="38">42 72 47 78 45 56 68 58 60 80 64 67 77 66 59 69 73 76 52 53 62 39 38 70 61 51 74 79 81 63 57 75 43 49 54 71 40 41</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx1" size="38">1 1 1 1 1 1 2 3 3 3 3 4 5 5 5 5 5 6 7 7 7 7 7 8 9 9 9 15 20 21 22 23 23 24 26 27 28 28</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx2" size="38">2 10 15 16 23 26 3 4 13 14 30 5 6 11 12 22 29 7 8 19 20 21 29 9 10 17 18 32 31 25 25 25 29 25 28 28 29 30</array>
                     <array dataType="xsd:double" dictRef="a:distance" size="38">1.872983 2.219737 2.042900 1.767767 1.983230 1.945078 2.087889 1.943375 1.769209 1.752149 1.996335 1.961266 2.079768 1.770299 1.753515 2.010000 2.619379 1.873675 2.167410 1.761863 2.035264 1.941256 2.037892 1.834970 1.826659 1.775434 1.775412 0.977804 0.977903 1.705349 1.668184 1.661603 2.911838 1.591710 1.704579 1.590009 1.665542 1.675870</array>
                     <array dataType="xsd:double" dictRef="a:length" size="38">1.873319 2.220179 2.043362 1.768137 1.984138 1.945898 2.088527 1.943967 1.769555 1.752184 1.997955 1.961908 2.080312 1.770600 1.753550 2.011622 2.619612 1.874012 2.167828 1.762140 2.035785 1.942126 2.038901 1.835462 1.827066 1.775486 1.775442 0.977909 0.978013 1.705705 1.668390 1.661707 2.912345 1.591715 1.704981 1.590021 1.665624 1.676075</array>
                     <array dataType="xsd:double" dictRef="a:steps" size="38">25 27 25 21 23 23 25 23 23 21 23 24 25 21 23 24 29 23 25 21 25 23 24 22 23 23 21 17 16 22 21 23 31 23 21 21 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="32">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="32">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 H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="32">2.2894 -0.9092 2.0772 -0.9470 2.0912 -0.9096 2.3063 -0.9672 2.1495 -0.9588 -0.7751 -0.7841 -0.7765 -0.7879 -0.7985 -0.7889 -0.8733 -0.8748 -0.7781 -0.7839 -0.9662 -0.9852 -0.9774 -1.1168 1.7260 -0.9737 -1.1111 1.7390 -1.0344 -0.9849 0.2414 0.2428</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="32">2.0068 1.9452 2.0208 1.9340 2.0214 1.9459 1.9997 1.9454 1.9450 1.9492 1.9609 1.9638 1.9618 1.9651 1.8867 1.9578 1.9584 1.9584 1.9599 1.8883 1.9153 1.9029 1.9060 1.8958 2.3634 1.9159 1.8961 2.3651 1.9052 1.9044 0.6412 0.6400</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="32">6.1031 4.9353 6.1706 4.9874 6.1608 4.9346 6.1009 4.9949 6.1766 4.9823 4.7870 4.7906 4.7873 4.7929 4.8809 4.8034 4.8882 4.8898 4.7895 4.8643 5.0229 5.0580 5.0479 5.2000 7.2973 5.0296 5.1939 7.2876 5.1049 5.0555 0.1174 0.1172</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="32">3.6007 0.0287 3.7314 0.0256 3.7266 0.0292 3.5931 0.0268 3.7288 0.0274 0.0272 0.0296 0.0274 0.0299 0.0309 0.0278 0.0267 0.0266 0.0287 0.0312 0.0280 0.0243 0.0235 0.0210 0.6132 0.0282 0.0211 0.6083 0.0243 0.0250 0.0000 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="32">0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="atomic.charges" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="32">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="32">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 H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="32">3.186034 -1.185655 3.118659 -1.238114 3.130263 -1.182779 3.187923 -1.235709 3.063453 -1.225118 -1.067315 -1.068773 -1.069434 -1.072894 -0.732513 -1.041679 -1.161030 -1.160112 -1.031179 -0.725848 -1.122067 -1.133449 -1.102146 -1.167080 1.753754 -1.125645 -1.159706 1.752337 -1.123708 -1.135042 0.038617 0.035956</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="32">2.345197 -0.949803 2.358773 -0.973248 2.365214 -0.949980 2.352353 -0.963989 2.285290 -0.968869 -0.881595 -0.852727 -0.883737 -0.853022 -0.905599 -0.846124 -0.963388 -0.962070 -0.829044 -0.894259 -0.906830 -0.969250 -0.796078 -1.156708 1.483833 -0.898708 -1.148621 1.481822 -0.813539 -0.975218 0.334703 0.335222</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="32">2.471777 -1.000890 2.449208 -1.066491 2.461929 -0.995997 2.492933 -1.041415 2.395171 -1.042983 -0.886732 -0.827134 -0.892259 -0.826024 -0.926298 -0.847004 -0.971146 -0.971194 -0.839756 -0.933791 -0.970250 -1.035255 -0.867507 -1.123667 1.541253 -0.965340 -1.109041 1.532668 -0.893306 -1.038157 0.367763 0.358930</array>
                  </list>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">2.74032752 -5.81915706 -3.06088047</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">7.12326983</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-24.52815951 22.53495110 -14.45580151 -6.01533808 1.87531695 30.54349759</array>
               </module>
               <module cmlx:templateRef="bonding.energy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-180.5404</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">229.4699</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">-34.2908</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-230.5890</scalar>
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         </module>
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   </module>
</module>
