<?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">Mar27-2024 17:21:08</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">Mar27-2024 17:21:08  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:08  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">Mar27-2024 17:21:09</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="798" startLine="796">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="801" startLine="800">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="809" startLine="803">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">0.60</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.02</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 3.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="11"
                            units="nonsi:electronvolt">-173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422</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 3.00 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">-173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222</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">P</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">9.0000</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">Mar27-2024 17:21:08  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:08  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Phosphorus (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">Mar27-2024 17:21:10</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="1640" startLine="1638">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="1643" startLine="1642">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="1651" startLine="1645">
                     <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">0.04</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">Mar27-2024 17:21:08  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:08  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Phosphorus (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:10  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">Mar27-2024 17:21:11</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="2560" startLine="2558">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="2563" startLine="2562">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="2571" startLine="2565">
                     <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">0.47</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.01</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">Mar27-2024 17:21:08  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:08  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Phosphorus (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:10  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">Mar27-2024 17:21:11  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:12  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">Mar27-2024 17:21:12</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
               <parameter dictRef="cc:nodeName">
                  <array dataType="xsd:string" size="24">kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198</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="3431" startLine="3429">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="3434" startLine="3433">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="3442" startLine="3436">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">1.34</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">0.04</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">1.42</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="16">1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="16">2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="16"
                            units="nonsi:electronvolt">-78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="16">S S S S S S P P P P D D D F F F</array>
                  </list>
               </module>
               <module cmlx:templateRef="orbital.energies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies">
                     <array dataType="xsd:string" dictRef="cc:irrep" size="16">S P F S D P S D S P D F S P F S</array>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="16">1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="16">2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="16"
                            units="nonsi:electronvolt">-78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143</array>
                  </list>
               </module>
               <module cmlx:templateRef="mulliken" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="1">W</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="1">-0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="1">4.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="1">6.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="1">4.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="1">14.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:08  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:08  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Phosphorus (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:10  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">Mar27-2024 17:21:11  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:12  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Oxygen (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:12  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:13  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Tungsten (TZP, 4d frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
               </module>
            </module>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">ADF</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:integer">2019</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2019-04-25</scalar>
               </parameter>
               <parameter dictRef="cc:programFlavour">
                  <scalar dataType="xsd:string">x86_64_linux_intel / intelmpi</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:string">Mar27-2024 17:21:15</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">Hydrogen (TZP)</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:runtype">
                  <scalar dataType="xsd:string">GEOMETRY OPTIMIZATION</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.0">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.1">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.2">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.3">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.4">TZP</scalar>
               </parameter>
            </parameterList>
            <molecule id="coordinates">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="-0.2366"
                        y3="-2.4557"
                        z3="2.7006"/>
                  <atom elementType="O"
                        id="a2"
                        x3="1.5666"
                        y3="-1.9333"
                        z3="2.9530"/>
                  <atom elementType="W"
                        id="a3"
                        x3="0.0762"
                        y3="2.3462"
                        z3="-2.5915"/>
                  <atom elementType="O"
                        id="a4"
                        x3="0.5149"
                        y3="1.0305"
                        z3="-3.6258"/>
                  <atom elementType="O"
                        id="a5"
                        x3="-3.2056"
                        y3="0.5150"
                        z3="-3.5451"/>
                  <atom elementType="Mo"
                        id="a6"
                        x3="2.6901"
                        y3="2.1597"
                        z3="-0.3666"/>
                  <atom elementType="O"
                        id="a7"
                        x3="3.7628"
                        y3="1.1068"
                        z3="-1.2189"/>
                  <atom elementType="W"
                        id="a8"
                        x3="-1.5602"
                        y3="-2.5813"
                        z3="-0.8485"/>
                  <atom elementType="Mo"
                        id="a9"
                        x3="-2.8432"
                        y3="0.4213"
                        z3="-1.8519"/>
                  <atom elementType="O"
                        id="a10"
                        x3="-2.9144"
                        y3="-1.5236"
                        z3="-1.7173"/>
                  <atom elementType="W"
                        id="a11"
                        x3="2.3575"
                        y3="-0.1571"
                        z3="2.5295"/>
                  <atom elementType="O"
                        id="a12"
                        x3="-0.1355"
                        y3="-2.5069"
                        z3="-1.8245"/>
                  <atom elementType="O"
                        id="a13"
                        x3="0.3724"
                        y3="-0.2559"
                        z3="1.5658"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.4243"
                        y3="-0.2575"
                        z3="-0.2282"/>
                  <atom elementType="O"
                        id="a15"
                        x3="0.7292"
                        y3="1.0451"
                        z3="-0.6367"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-0.9402"
                        y3="1.8434"
                        z3="1.1844"/>
                  <atom elementType="P"
                        id="a17"
                        x3="-0.2860"
                        y3="0.5763"
                        z3="0.4416"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-2.2322"
                        y3="-4.1537"
                        z3="-1.1316"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-4.2484"
                        y3="0.9821"
                        z3="-1.0195"/>
                  <atom elementType="O"
                        id="a20"
                        x3="2.4673"
                        y3="1.4030"
                        z3="1.3843"/>
                  <atom elementType="O"
                        id="a21"
                        x3="1.6345"
                        y3="3.0794"
                        z3="-1.7580"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.3599"
                        y3="3.6465"
                        z3="-3.6531"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-1.6168"
                        y3="1.9484"
                        z3="-1.7507"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-1.3132"
                        y3="-1.4893"
                        z3="3.6558"/>
                  <atom elementType="O"
                        id="a25"
                        x3="2.3032"
                        y3="0.5921"
                        z3="4.0867"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.9835"
                        y3="-2.7583"
                        z3="0.9731"/>
                  <atom elementType="O"
                        id="a27"
                        x3="3.6303"
                        y3="3.5499"
                        z3="0.0761"/>
                  <atom elementType="O"
                        id="a28"
                        x3="-0.2672"
                        y3="-4.0293"
                        z3="3.4280"/>
                  <atom elementType="O"
                        id="a29"
                        x3="3.9675"
                        y3="-0.7569"
                        z3="2.3097"/>
                  <atom elementType="H"
                        id="a30"
                        x3="-1.3965"
                        y3="2.4258"
                        z3="0.5354"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a26" order="S"/>
                  <bond atomRefs2="a1 a28" order="S"/>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a3 a21" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a23" order="S"/>
                  <bond atomRefs2="a3 a22" order="S"/>
                  <bond atomRefs2="a5 a9" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a26" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a9 a19" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a9 a14" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a25" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a30" order="S"/>
               </bondArray>
               <formula concise="HMo2O22PW4"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1310.200560999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q2*+1;-3;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)16-25(7)17-2(5,6,20-26(8,9)18-1)21-29(14,15,22-25)24-28(12,13)23-27(10,11)19-1/h7H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2366,-2.4557,2.7006;1.5666,-1.9333,2.953;.0762,2.3462,-2.5915;.5149,1.0305,-3.6258;-3.2056,.515,-3.5451;2.6901,2.1597,-.3666;3.7628,1.1068,-1.2189;-1.5602,-2.5813,-.8485;-2.8432,.4213,-1.8519;-2.9144,-1.5236,-1.7173;2.3575,-.1571,2.5295;-.1355,-2.5069,-1.8245;.3724,-.2559,1.5658;-1.4243,-.2575,-.2282;.7292,1.0451,-.6367;-.9402,1.8434,1.1844;-.286,.5763,.4416;-2.2322,-4.1537,-1.1316;-4.2484,.9821,-1.0195;2.4673,1.403,1.3843;1.6345,3.0794,-1.758;-.3599,3.6465,-3.6531;-1.6168,1.9484,-1.7507;-1.3132,-1.4893,3.6558;2.3032,.5921,4.0867;-.9835,-2.7583,.9731;3.6303,3.5499,.0761;-.2672,-4.0293,3.428;3.9675,-.7569,2.3097;-1.3965,2.4258,.5354;/R:/0/N:9,6,5,19,7,27,16,4,22,12,18,24,28,25,29,14,15,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="scf" endLine="4574" startLine="4572">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="4578" startLine="4576">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="4587" startLine="4580">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="solvation" dictRef="cc:userDefinedModule">
                  <list id="cosmo">
                     <scalar dataType="xsd:integer" dictRef="a:ndiv">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:nfdiv">1</scalar>
                     <scalar dataType="xsd:double" dictRef="a:rsol" units="nonsi:angstrom">1.93000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:epsl">78.39000</scalar>
                     <scalar dataType="xsd:string" dictRef="a:cosmomethod">conjugate-gradient</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ncix">1000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ccnv">1.0E-08</scalar>
                     <scalar dataType="xsd:double" dictRef="a:gdsf">0.00000</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="fragment.files" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="W" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.W</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Mar27-2024 17:21:13</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Tungsten</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">4d</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="O" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.O</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Mar27-2024 17:21:12</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Oxygen</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">1s</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="Mo" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.Mo</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Mar27-2024 17:21:10</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:nodes">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:processors">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementName">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="P" id="a1">
                           <scalar dataType="xsd:string" dictRef="a:file">t21.P</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ADF 2019</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:runtime">Mar27-2024 17:21:09</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">Phosphorus</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">Mar27-2024 17:21:08</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">-9.21965072</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02165143</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">0.00583382</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">0.02165143</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00583382</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01776387</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">0.00457834</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.238988"
                                 y3="-2.454499"
                                 z3="2.69533"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.55949"
                                 y3="-1.923822"
                                 z3="2.952208"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.072614"
                                 y3="2.349344"
                                 z3="-2.587403"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.507711"
                                 y3="1.030699"
                                 z3="-3.629133"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.200515"
                                 y3="0.51757"
                                 z3="-3.543666"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.692774"
                                 y3="2.155539"
                                 z3="-0.36986"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.756795"
                                 y3="1.097719"
                                 z3="-1.221777"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.558551"
                                 y3="-2.580485"
                                 z3="-0.84687"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.842516"
                                 y3="0.420485"
                                 z3="-1.852655"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.906361"
                                 y3="-1.52646"
                                 z3="-1.71881"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.35412"
                                 y3="-0.154594"
                                 z3="2.527374"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.12985"
                                 y3="-2.504753"
                                 z3="-1.826162"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.372004"
                                 y3="-0.254902"
                                 z3="1.563504"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.425228"
                                 y3="-0.25863"
                                 z3="-0.225853"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.725065"
                                 y3="1.048018"
                                 z3="-0.635286"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.940793"
                                 y3="1.840942"
                                 z3="1.195697"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.290613"
                                 y3="0.580561"
                                 z3="0.442595"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.223684"
                                 y3="-4.159122"
                                 z3="-1.136985"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.246556"
                                 y3="0.978251"
                                 z3="-1.021931"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.467002"
                                 y3="1.398163"
                                 z3="1.382631"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.634032"
                                 y3="3.074195"
                                 z3="-1.761533"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.361925"
                                 y3="3.651476"
                                 z3="-3.6553"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.614858"
                                 y3="1.949391"
                                 z3="-1.748819"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.318088"
                                 y3="-1.488236"
                                 z3="3.655888"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.304979"
                                 y3="0.598496"
                                 z3="4.087867"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.983121"
                                 y3="-2.754736"
                                 z3="0.9717"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.63997"
                                 y3="3.539061"
                                 z3="0.067336"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.267644"
                                 y3="-4.031028"
                                 z3="3.425463"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.970722"
                                 y3="-0.75438"
                                 z3="2.317387"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.399188"
                                 y3="2.428437"
                                 z3="0.553164"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q2*+1;-3;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)16-25(7)17-2(5,6,20-26(8,9)18-1)21-29(14,15,22-25)24-28(12,13)23-27(10,11)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.239,-2.4545,2.6953;1.5595,-1.9238,2.9522;.0726,2.3493,-2.5874;.5077,1.0307,-3.6291;-3.2005,.5176,-3.5437;2.6928,2.1555,-.3699;3.7568,1.0977,-1.2218;-1.5586,-2.5805,-.8469;-2.8425,.4205,-1.8527;-2.9064,-1.5265,-1.7188;2.3541,-.1546,2.5274;-.1298,-2.5048,-1.8262;.372,-.2549,1.5635;-1.4252,-.2586,-.2259;.7251,1.048,-.6353;-.9408,1.8409,1.1957;-.2906,.5806,.4426;-2.2237,-4.1591,-1.137;-4.2466,.9783,-1.0219;2.467,1.3982,1.3826;1.634,3.0742,-1.7615;-.3619,3.6515,-3.6553;-1.6149,1.9494,-1.7488;-1.3181,-1.4882,3.6559;2.305,.5985,4.0879;-.9831,-2.7547,.9717;3.64,3.5391,.0673;-.2676,-4.031,3.4255;3.9707,-.7544,2.3174;-1.3992,2.4284,.5532;/R:/0/N:9,6,5,19,7,27,16,4,22,12,18,24,28,25,29,14,15,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22029404</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00598743</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">0.00219434</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">0.00598743</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00219434</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01265925</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">0.00447191</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.241243"
                                 y3="-2.452928"
                                 z3="2.691111"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.551749"
                                 y3="-1.913129"
                                 z3="2.955612"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.068704"
                                 y3="2.353198"
                                 z3="-2.581956"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.498687"
                                 y3="1.034962"
                                 z3="-3.627771"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.198819"
                                 y3="0.520653"
                                 z3="-3.543165"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.696874"
                                 y3="2.151487"
                                 z3="-0.373705"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.752958"
                                 y3="1.08841"
                                 z3="-1.226894"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.55685"
                                 y3="-2.580471"
                                 z3="-0.846625"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.842197"
                                 y3="0.418899"
                                 z3="-1.853411"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.897846"
                                 y3="-1.530697"
                                 z3="-1.722034"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.351613"
                                 y3="-0.152465"
                                 z3="2.526815"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.126564"
                                 y3="-2.50085"
                                 z3="-1.82415"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.374305"
                                 y3="-0.255477"
                                 z3="1.561308"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.424877"
                                 y3="-0.261492"
                                 z3="-0.224391"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.721649"
                                 y3="1.050673"
                                 z3="-0.634921"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.942795"
                                 y3="1.83771"
                                 z3="1.200646"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.293127"
                                 y3="0.582258"
                                 z3="0.44256"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.214312"
                                 y3="-4.162227"
                                 z3="-1.140508"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.246195"
                                 y3="0.972896"
                                 z3="-1.022294"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.468158"
                                 y3="1.39094"
                                 z3="1.380094"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.634257"
                                 y3="3.069404"
                                 z3="-1.765127"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.365199"
                                 y3="3.656778"
                                 z3="-3.649934"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.612618"
                                 y3="1.94976"
                                 z3="-1.745416"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.322362"
                                 y3="-1.488696"
                                 z3="3.652275"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.303199"
                                 y3="0.607045"
                                 z3="4.084984"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.982688"
                                 y3="-2.750732"
                                 z3="0.970383"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.65263"
                                 y3="3.528803"
                                 z3="0.059399"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.266906"
                                 y3="-4.029361"
                                 z3="3.422869"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.970014"
                                 y3="-0.754002"
                                 z3="2.326459"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.401398"
                                 y3="2.431351"
                                 z3="0.56389"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q2*+1;-3;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)16-25(7)17-2(5,6,20-26(8,9)18-1)21-29(14,15,22-25)24-28(12,13)23-27(10,11)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2412,-2.4529,2.6911;1.5517,-1.9131,2.9556;.0687,2.3532,-2.582;.4987,1.035,-3.6278;-3.1988,.5207,-3.5432;2.6969,2.1515,-.3737;3.753,1.0884,-1.2269;-1.5569,-2.5805,-.8466;-2.8422,.4189,-1.8534;-2.8978,-1.5307,-1.722;2.3516,-.1525,2.5268;-.1266,-2.5008,-1.8241;.3743,-.2555,1.5613;-1.4249,-.2615,-.2244;.7216,1.0507,-.6349;-.9428,1.8377,1.2006;-.2931,.5823,.4426;-2.2143,-4.1622,-1.1405;-4.2462,.9729,-1.0223;2.4682,1.3909,1.3801;1.6343,3.0694,-1.7651;-.3652,3.6568,-3.6499;-1.6126,1.9498,-1.7454;-1.3224,-1.4887,3.6523;2.3032,.607,4.085;-.9827,-2.7507,.9704;3.6526,3.5288,.0594;-.2669,-4.0294,3.4229;3.97,-.754,2.3265;-1.4014,2.4314,.5639;/R:/0/N:9,6,5,19,7,27,16,4,22,12,18,24,28,25,29,14,15,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22054883</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00264508</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">0.00077177</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">0.00264508</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00077177</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00895390</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">0.00311899</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 y3="-2.451319"
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                                 y3="-1.906641"
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                                 z3="-2.578978"/>
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                                 z3="-3.626832"/>
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                                 z3="-3.542561"/>
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                                 x3="2.700408"
                                 y3="2.150409"
                                 z3="-0.376856"/>
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                                 id="a7"
                                 x3="3.75263"
                                 y3="1.084567"
                                 z3="-1.231594"/>
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                                 z3="-1.853549"/>
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                                 y3="-1.532973"
                                 z3="-1.726522"/>
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                                 id="a11"
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                                 y3="-0.151238"
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                                 y3="-2.498274"
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                           <atom elementType="O"
                                 id="a13"
                                 x3="0.377609"
                                 y3="-0.257176"
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                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.423731"
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                                 x3="0.720388"
                                 y3="1.052515"
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                                 x3="-0.943834"
                                 y3="1.833395"
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                           <atom elementType="P"
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                                 x3="-0.292495"
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                                 x3="-2.209736"
                                 y3="-4.164235"
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                                 x3="-4.246775"
                                 y3="0.968549"
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                                 id="a20"
                                 x3="2.470347"
                                 y3="1.386049"
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                                 x3="1.636427"
                                 y3="3.068124"
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                                 x3="-0.368255"
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                                 z3="-3.643938"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.61251"
                                 y3="1.949619"
                                 z3="-1.742985"/>
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                                 x3="-1.327159"
                                 y3="-1.489019"
                                 z3="3.6490"/>
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                                 id="a25"
                                 x3="2.299599"
                                 y3="0.615482"
                                 z3="4.082685"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.983112"
                                 y3="-2.748531"
                                 z3="0.96967"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.661584"
                                 y3="3.524318"
                                 z3="0.055563"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.266167"
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                           <atom elementType="O"
                                 id="a29"
                                 x3="3.968648"
                                 y3="-0.756589"
                                 z3="2.333054"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.401682"
                                 y3="2.430857"
                                 z3="0.568406"/>
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                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q2*+1;-3;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)16-25(7)17-2(5,6,20-26(8,9)18-1)21-29(14,15,22-25)24-28(12,13)23-27(10,11)19-1/h7H">
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                        </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">-9.22065011</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00201020</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">0.00061886</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">0.00201020</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00061886</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01483251</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">0.00527762</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
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                                 id="a1"
                                 x3="-0.245341"
                                 y3="-2.448352"
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                                 z3="-2.575051"/>
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                                 z3="-3.626956"/>
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                                 id="a5"
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                                 z3="-3.541215"/>
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                                 y3="2.149098"
                                 z3="-0.382357"/>
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                                 id="a7"
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                                 z3="-1.23964"/>
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                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q2*+1;-3;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)16-25(7)17-2(5,6,20-26(8,9)18-1)21-29(14,15,22-25)24-28(12,13)23-27(10,11)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2453,-2.4484,2.6899;1.5408,-1.897,2.9778;.0639,2.3582,-2.5751;.4866,1.0436,-3.627;-3.2094,.5291,-3.5412;2.706,2.1491,-.3824;3.7523,1.0792,-1.2396;-1.5537,-2.5811,-.8528;-2.8443,.4168,-1.8539;-2.889,-1.5356,-1.7352;2.3497,-.1491,2.5309;-.1196,-2.4949,-1.8226;.3832,-.2606,1.5558;-1.4217,-.2692,-.2251;.7178,1.0558,-.6382;-.9449,1.8256,1.2054;-.2912,.5775,.4404;-2.2021,-4.1667,-1.1457;-4.2474,.9609,-1.0144;2.4746,1.379,1.3691;1.6411,3.0664,-1.7716;-.373,3.6678,-3.6341;-1.6143,1.9494,-1.7399;-1.3368,-1.49,3.6436;2.2938,.63,4.0792;-.9841,-2.7456,.9686;3.6753,3.5176,.0498;-.2654,-4.0238,3.4234;3.9659,-.7613,2.344;-1.4002,2.43,.5772;/R:/0/N:9,6,5,19,7,27,16,4,22,12,18,24,28,25,29,14,15,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22078515</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00270988</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">0.00078035</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">0.00270988</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00078035</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01375787</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">0.00427806</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.248022"
                                 y3="-2.445388"
                                 z3="2.690468"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.535753"
                                 y3="-1.890426"
                                 z3="2.991514"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.062254"
                                 y3="2.359331"
                                 z3="-2.572119"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.481217"
                                 y3="1.04798"
                                 z3="-3.628974"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.216301"
                                 y3="0.533263"
                                 z3="-3.540831"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.710383"
                                 y3="2.148369"
                                 z3="-0.38667"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.752069"
                                 y3="1.075788"
                                 z3="-1.246647"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.550412"
                                 y3="-2.580292"
                                 z3="-0.855592"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.845137"
                                 y3="0.416234"
                                 z3="-1.855084"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.884076"
                                 y3="-1.536561"
                                 z3="-1.743496"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.349157"
                                 y3="-0.147788"
                                 z3="2.532773"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.11376"
                                 y3="-2.493923"
                                 z3="-1.821161"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.387343"
                                 y3="-0.263938"
                                 z3="1.552268"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.420338"
                                 y3="-0.272194"
                                 z3="-0.225614"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.714522"
                                 y3="1.059283"
                                 z3="-0.639752"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.946659"
                                 y3="1.819602"
                                 z3="1.209455"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.290813"
                                 y3="0.575371"
                                 z3="0.439718"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.19562"
                                 y3="-4.167342"
                                 z3="-1.14717"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.247354"
                                 y3="0.954038"
                                 z3="-1.009954"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.478906"
                                 y3="1.373719"
                                 z3="1.362108"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.645569"
                                 y3="3.065309"
                                 z3="-1.77403"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.375921"
                                 y3="3.672795"
                                 z3="-3.62553"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.617377"
                                 y3="1.949335"
                                 z3="-1.738648"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.345609"
                                 y3="-1.490536"
                                 z3="3.640456"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.292692"
                                 y3="0.641132"
                                 z3="4.076108"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.985825"
                                 y3="-2.743722"
                                 z3="0.968543"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.685499"
                                 y3="3.512632"
                                 z3="0.046239"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.26622"
                                 y3="-4.021209"
                                 z3="3.423138"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.963573"
                                 y3="-0.765927"
                                 z3="2.350421"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.400694"
                                 y3="2.427767"
                                 z3="0.584165"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q2*+1;-3;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)16-25(7)17-2(5,6,20-26(8,9)18-1)21-29(14,15,22-25)24-28(12,13)23-27(10,11)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.248,-2.4454,2.6905;1.5358,-1.8904,2.9915;.0623,2.3593,-2.5721;.4812,1.048,-3.629;-3.2163,.5333,-3.5408;2.7104,2.1484,-.3867;3.7521,1.0758,-1.2466;-1.5504,-2.5803,-.8556;-2.8451,.4162,-1.8551;-2.8841,-1.5366,-1.7435;2.3492,-.1478,2.5328;-.1138,-2.4939,-1.8212;.3873,-.2639,1.5523;-1.4203,-.2722,-.2256;.7145,1.0593,-.6398;-.9467,1.8196,1.2095;-.2908,.5754,.4397;-2.1956,-4.1673,-1.1472;-4.2474,.954,-1.01;2.4789,1.3737,1.3621;1.6456,3.0653,-1.774;-.3759,3.6728,-3.6255;-1.6174,1.9493,-1.7386;-1.3456,-1.4905,3.6405;2.2927,.6411,4.0761;-.9858,-2.7437,.9685;3.6855,3.5126,.0462;-.2662,-4.0212,3.4231;3.9636,-.7659,2.3504;-1.4007,2.4278,.5842;/R:/0/N:9,6,5,19,7,27,16,4,22,12,18,24,28,25,29,14,15,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22089100</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00251753</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">0.00077857</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">0.00251753</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00077857</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02775625</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">0.00873052</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.254003"
                                 y3="-2.438575"
                                 z3="2.692076"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.52536"
                                 y3="-1.877992"
                                 z3="3.01927"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.059937"
                                 y3="2.359541"
                                 z3="-2.566018"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.470991"
                                 y3="1.055723"
                                 z3="-3.634988"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.230992"
                                 y3="0.541156"
                                 z3="-3.541829"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.718816"
                                 y3="2.147369"
                                 z3="-0.394654"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.751035"
                                 y3="1.069816"
                                 z3="-1.260353"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.541547"
                                 y3="-2.576885"
                                 z3="-0.859355"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.846368"
                                 y3="0.415518"
                                 z3="-1.859753"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.871826"
                                 y3="-1.537153"
                                 z3="-1.761617"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.348151"
                                 y3="-0.145414"
                                 z3="2.53518"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.098705"
                                 y3="-2.494151"
                                 z3="-1.816236"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.394604"
                                 y3="-0.271827"
                                 z3="1.543179"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.41937"
                                 y3="-0.276784"
                                 z3="-0.226768"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.705771"
                                 y3="1.068076"
                                 z3="-0.641817"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.950157"
                                 y3="1.807489"
                                 z3="1.22114"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.292115"
                                 y3="0.57218"
                                 z3="0.438899"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.183253"
                                 y3="-4.165915"
                                 z3="-1.148964"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.246004"
                                 y3="0.939509"
                                 z3="-1.001579"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.488289"
                                 y3="1.364766"
                                 z3="1.347861"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.65435"
                                 y3="3.062406"
                                 z3="-1.777778"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.380156"
                                 y3="3.681419"
                                 z3="-3.607636"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.625429"
                                 y3="1.948794"
                                 z3="-1.738518"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.3636"
                                 y3="-1.491056"
                                 z3="3.635868"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.296465"
                                 y3="0.661467"
                                 z3="4.069518"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.990593"
                                 y3="-2.740918"
                                 z3="0.969688"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.704397"
                                 y3="3.503594"
                                 z3="0.039202"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.270606"
                                 y3="-4.016218"
                                 z3="3.420926"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.959007"
                                 y3="-0.774701"
                                 z3="2.359996"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.403649"
                                 y3="2.421467"
                                 z3="0.601158"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q2*+1;-3;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)16-25(7)17-2(5,6,20-26(8,9)18-1)21-29(14,15,22-25)24-28(12,13)23-27(10,11)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.254,-2.4386,2.6921;1.5254,-1.878,3.0193;.0599,2.3595,-2.566;.471,1.0557,-3.635;-3.231,.5412,-3.5418;2.7188,2.1474,-.3947;3.751,1.0698,-1.2604;-1.5415,-2.5769,-.8594;-2.8464,.4155,-1.8598;-2.8718,-1.5372,-1.7616;2.3482,-.1454,2.5352;-.0987,-2.4942,-1.8162;.3946,-.2718,1.5432;-1.4194,-.2768,-.2268;.7058,1.0681,-.6418;-.9502,1.8075,1.2211;-.2921,.5722,.4389;-2.1833,-4.1659,-1.149;-4.246,.9395,-1.0016;2.4883,1.3648,1.3479;1.6543,3.0624,-1.7778;-.3802,3.6814,-3.6076;-1.6254,1.9488,-1.7385;-1.3636,-1.4911,3.6359;2.2965,.6615,4.0695;-.9906,-2.7409,.9697;3.7044,3.5036,.0392;-.2706,-4.0162,3.4209;3.959,-.7747,2.36;-1.4036,2.4215,.6012;/R:/0/N:9,6,5,19,7,27,16,4,22,12,18,24,28,25,29,14,15,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22106496</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00273566</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">0.00066232</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">0.00273566</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00066232</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00656964</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">0.00235531</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.254084"
                                 y3="-2.437207"
                                 z3="2.691621"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.524125"
                                 y3="-1.875911"
                                 z3="3.02296"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.06162"
                                 y3="2.3562"
                                 z3="-2.56469"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.471175"
                                 y3="1.052878"
                                 z3="-3.63525"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.237383"
                                 y3="0.543684"
                                 z3="-3.543764"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.720301"
                                 y3="2.148088"
                                 z3="-0.394586"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.751094"
                                 y3="1.069014"
                                 z3="-1.260096"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.538824"
                                 y3="-2.574269"
                                 z3="-0.858762"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.847602"
                                 y3="0.416402"
                                 z3="-1.862948"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.868272"
                                 y3="-1.535607"
                                 z3="-1.76605"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.348395"
                                 y3="-0.144445"
                                 z3="2.534788"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.093813"
                                 y3="-2.495717"
                                 z3="-1.813392"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.395514"
                                 y3="-0.274873"
                                 z3="1.539296"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.421835"
                                 y3="-0.27617"
                                 z3="-0.227287"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.702054"
                                 y3="1.072031"
                                 z3="-0.64061"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.952252"
                                 y3="1.804894"
                                 z3="1.226209"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.294779"
                                 y3="0.572364"
                                 z3="0.439265"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.183595"
                                 y3="-4.162132"
                                 z3="-1.149359"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.245159"
                                 y3="0.937347"
                                 z3="-0.999374"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.489928"
                                 y3="1.365938"
                                 z3="1.347205"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.656184"
                                 y3="3.060346"
                                 z3="-1.778239"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.377046"
                                 y3="3.678757"
                                 z3="-3.606173"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.627427"
                                 y3="1.947743"
                                 z3="-1.741227"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.364937"
                                 y3="-1.491492"
                                 z3="3.636113"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.301586"
                                 y3="0.663327"
                                 z3="4.068744"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.992217"
                                 y3="-2.740768"
                                 z3="0.969962"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.706842"
                                 y3="3.503892"
                                 z3="0.037696"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.271423"
                                 y3="-4.01615"
                                 z3="3.41789"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.958797"
                                 y3="-0.774289"
                                 z3="2.358428"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.40817"
                                 y3="2.418827"
                                 z3="0.607728"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q2*+1;-3;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)16-25(7)17-2(5,6,20-26(8,9)18-1)21-29(14,15,22-25)24-28(12,13)23-27(10,11)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2541,-2.4372,2.6916;1.5241,-1.8759,3.023;.0616,2.3562,-2.5647;.4712,1.0529,-3.6353;-3.2374,.5437,-3.5438;2.7203,2.1481,-.3946;3.7511,1.069,-1.2601;-1.5388,-2.5743,-.8588;-2.8476,.4164,-1.8629;-2.8683,-1.5356,-1.766;2.3484,-.1444,2.5348;-.0938,-2.4957,-1.8134;.3955,-.2749,1.5393;-1.4218,-.2762,-.2273;.7021,1.072,-.6406;-.9523,1.8049,1.2262;-.2948,.5724,.4393;-2.1836,-4.1621,-1.1494;-4.2452,.9373,-.9994;2.4899,1.3659,1.3472;1.6562,3.0603,-1.7782;-.377,3.6788,-3.6062;-1.6274,1.9477,-1.7412;-1.3649,-1.4915,3.6361;2.3016,.6633,4.0687;-.9922,-2.7408,.97;3.7068,3.5039,.0377;-.2714,-4.0161,3.4179;3.9588,-.7743,2.3584;-1.4082,2.4188,.6077;/R:/0/N:9,6,5,19,7,27,16,4,22,12,18,24,28,25,29,14,15,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22112357</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00183564</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">0.00047881</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">0.00183564</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00047881</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01267829</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">0.00415759</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.254402"
                                 y3="-2.434084"
                                 z3="2.691127"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.521611"
                                 y3="-1.871174"
                                 z3="3.029069"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.064206"
                                 y3="2.351488"
                                 z3="-2.5617"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.471563"
                                 y3="1.049073"
                                 z3="-3.634559"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.249673"
                                 y3="0.548556"
                                 z3="-3.547221"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.723246"
                                 y3="2.149279"
                                 z3="-0.394796"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.751297"
                                 y3="1.067258"
                                 z3="-1.259837"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.534535"
                                 y3="-2.57052"
                                 z3="-0.85827"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.849955"
                                 y3="0.417313"
                                 z3="-1.868886"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.861091"
                                 y3="-1.533848"
                                 z3="-1.775189"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.349075"
                                 y3="-0.142848"
                                 z3="2.534025"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.085529"
                                 y3="-2.498025"
                                 z3="-1.807726"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.397982"
                                 y3="-0.280697"
                                 z3="1.53187"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.42547"
                                 y3="-0.276205"
                                 z3="-0.228666"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.695931"
                                 y3="1.079062"
                                 z3="-0.639316"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.955651"
                                 y3="1.798338"
                                 z3="1.234535"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.298613"
                                 y3="0.571437"
                                 z3="0.439102"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.184669"
                                 y3="-4.156148"
                                 z3="-1.150746"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.243886"
                                 y3="0.932617"
                                 z3="-0.995696"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.492167"
                                 y3="1.367357"
                                 z3="1.346324"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.659506"
                                 y3="3.057324"
                                 z3="-1.779517"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.372936"
                                 y3="3.676002"
                                 z3="-3.601757"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.629993"
                                 y3="1.945378"
                                 z3="-1.745281"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.366668"
                                 y3="-1.490003"
                                 z3="3.635813"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.308864"
                                 y3="0.667161"
                                 z3="4.066951"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.995365"
                                 y3="-2.740035"
                                 z3="0.970633"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.712128"
                                 y3="3.503907"
                                 z3="0.034676"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.273101"
                                 y3="-4.014284"
                                 z3="3.414872"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.95833"
                                 y3="-0.774764"
                                 z3="2.35586"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.41557"
                                 y3="2.413785"
                                 z3="0.620406"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q2*+1;-3;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)16-25(7)17-2(5,6,20-26(8,9)18-1)21-29(14,15,22-25)24-28(12,13)23-27(10,11)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2544,-2.4341,2.6911;1.5216,-1.8712,3.0291;.0642,2.3515,-2.5617;.4716,1.0491,-3.6346;-3.2497,.5486,-3.5472;2.7232,2.1493,-.3948;3.7513,1.0673,-1.2598;-1.5345,-2.5705,-.8583;-2.85,.4173,-1.8689;-2.8611,-1.5338,-1.7752;2.3491,-.1428,2.534;-.0855,-2.498,-1.8077;.398,-.2807,1.5319;-1.4255,-.2762,-.2287;.6959,1.0791,-.6393;-.9557,1.7983,1.2345;-.2986,.5714,.4391;-2.1847,-4.1561,-1.1507;-4.2439,.9326,-.9957;2.4922,1.3674,1.3463;1.6595,3.0573,-1.7795;-.3729,3.676,-3.6018;-1.63,1.9454,-1.7453;-1.3667,-1.49,3.6358;2.3089,.6672,4.067;-.9954,-2.74,.9706;3.7121,3.5039,.0347;-.2731,-4.0143,3.4149;3.9583,-.7748,2.3559;-1.4156,2.4138,.6204;/R:/0/N:9,6,5,19,7,27,16,4,22,12,18,24,28,25,29,14,15,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22120040</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00135989</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">0.00046424</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">0.00135989</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00046424</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01041569</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">0.00305072</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.254279"
                                 y3="-2.43154"
                                 z3="2.691193"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.521108"
                                 y3="-1.868799"
                                 z3="3.030622"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.06593"
                                 y3="2.348315"
                                 z3="-2.559851"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.473218"
                                 y3="1.045642"
                                 z3="-3.632479"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.258894"
                                 y3="0.552296"
                                 z3="-3.550217"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.724306"
                                 y3="2.150108"
                                 z3="-0.394316"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.750688"
                                 y3="1.065529"
                                 z3="-1.258091"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.531984"
                                 y3="-2.568076"
                                 z3="-0.858298"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.852101"
                                 y3="0.417814"
                                 z3="-1.873737"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.855206"
                                 y3="-1.532786"
                                 z3="-1.783264"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.350251"
                                 y3="-0.142419"
                                 z3="2.533047"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.07988"
                                 y3="-2.498928"
                                 z3="-1.803148"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.399837"
                                 y3="-0.284748"
                                 z3="1.526783"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.428212"
                                 y3="-0.276216"
                                 z3="-0.229511"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.691484"
                                 y3="1.084222"
                                 z3="-0.638392"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.95809"
                                 y3="1.793368"
                                 z3="1.240555"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.301272"
                                 y3="0.570465"
                                 z3="0.439173"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.185646"
                                 y3="-4.15211"
                                 z3="-1.152429"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.243941"
                                 y3="0.928907"
                                 z3="-0.99438"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.491831"
                                 y3="1.369044"
                                 z3="1.347384"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.661325"
                                 y3="3.056101"
                                 z3="-1.780414"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.370175"
                                 y3="3.673269"
                                 z3="-3.600032"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.631232"
                                 y3="1.943477"
                                 z3="-1.74853"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.365402"
                                 y3="-1.486241"
                                 z3="3.635868"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.313553"
                                 y3="0.66699"
                                 z3="4.06632"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.997664"
                                 y3="-2.739249"
                                 z3="0.971437"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.715043"
                                 y3="3.503925"
                                 z3="0.032862"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.274254"
                                 y3="-4.011499"
                                 z3="3.415484"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.958464"
                                 y3="-0.775728"
                                 z3="2.351639"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.420008"
                                 y3="2.411568"
                                 z3="0.630822"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q2*+1;-3;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)16-25(7)17-2(5,6,20-26(8,9)18-1)21-29(14,15,22-25)24-28(12,13)23-27(10,11)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s9;s6;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2543,-2.4315,2.6912;1.5211,-1.8688,3.0306;.0659,2.3483,-2.5599;.4732,1.0456,-3.6325;-3.2589,.5523,-3.5502;2.7243,2.1501,-.3943;3.7507,1.0655,-1.2581;-1.532,-2.5681,-.8583;-2.8521,.4178,-1.8737;-2.8552,-1.5328,-1.7833;2.3503,-.1424,2.533;-.0799,-2.4989,-1.8031;.3998,-.2847,1.5268;-1.4282,-.2762,-.2295;.6915,1.0842,-.6384;-.9581,1.7934,1.2406;-.3013,.5705,.4392;-2.1856,-4.1521,-1.1524;-4.2439,.9289,-.9944;2.4918,1.369,1.3474;1.6613,3.0561,-1.7804;-.3702,3.6733,-3.6;-1.6312,1.9435,-1.7485;-1.3654,-1.4862,3.6359;2.3136,.667,4.0663;-.9977,-2.7392,.9714;3.715,3.5039,.0329;-.2743,-4.0115,3.4155;3.9585,-.7757,2.3516;-1.42,2.4116,.6308;/R:/0/N:9,6,5,19,7,27,16,4,22,12,18,24,28,25,29,14,15,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22125147</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00147315</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">0.00046805</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">0.00147315</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00046805</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02336545</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">0.00680034</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.254073"
                                 y3="-2.425688"
                                 z3="2.691508"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.521234"
                                 y3="-1.864775"
                                 z3="3.032095"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.06877"
                                 y3="2.342149"
                                 z3="-2.556434"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.476682"
                                 y3="1.037873"
                                 z3="-3.62677"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.27943"
                                 y3="0.561425"
                                 z3="-3.556078"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.725556"
                                 y3="2.150705"
                                 z3="-0.393408"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.747522"
                                 y3="1.058878"
                                 z3="-1.253123"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.526123"
                                 y3="-2.562604"
                                 z3="-0.859611"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.857147"
                                 y3="0.419063"
                                 z3="-1.883921"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.841396"
                                 y3="-1.530414"
                                 z3="-1.802668"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.352885"
                                 y3="-0.141895"
                                 z3="2.531053"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.067175"
                                 y3="-2.498577"
                                 z3="-1.793554"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.403788"
                                 y3="-0.292615"
                                 z3="1.51694"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.433349"
                                 y3="-0.27619"
                                 z3="-0.230487"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.681574"
                                 y3="1.095368"
                                 z3="-0.636386"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.963811"
                                 y3="1.782642"
                                 z3="1.253654"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.306655"
                                 y3="0.568467"
                                 z3="0.440117"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.184332"
                                 y3="-4.144255"
                                 z3="-1.157031"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.244763"
                                 y3="0.919944"
                                 z3="-0.991453"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.488368"
                                 y3="1.372918"
                                 z3="1.35042"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.665802"
                                 y3="3.053609"
                                 z3="-1.783208"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.364948"
                                 y3="3.666976"
                                 z3="-3.59825"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.634059"
                                 y3="1.940109"
                                 z3="-1.755435"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.361726"
                                 y3="-1.476072"
                                 z3="3.635451"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.322471"
                                 y3="0.664785"
                                 z3="4.065927"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.002301"
                                 y3="-2.736898"
                                 z3="0.973165"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.721933"
                                 y3="3.501618"
                                 z3="0.02895"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.276465"
                                 y3="-4.003993"
                                 z3="3.419337"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.958813"
                                 y3="-0.777839"
                                 z3="2.34111"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.428843"
                                 y3="2.407986"
                                 z3="0.654187"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;+1;-2;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)17-26(9,10)20-2(5,6)19-25(7,8)22-29(15,16,18-1)24-28(13,14)23-27(11,12)21-2/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOO1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s9;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2541,-2.4257,2.6915;1.5212,-1.8648,3.0321;.0688,2.3421,-2.5564;.4767,1.0379,-3.6268;-3.2794,.5614,-3.5561;2.7256,2.1507,-.3934;3.7475,1.0589,-1.2531;-1.5261,-2.5626,-.8596;-2.8571,.4191,-1.8839;-2.8414,-1.5304,-1.8027;2.3529,-.1419,2.5311;-.0672,-2.4986,-1.7936;.4038,-.2926,1.5169;-1.4333,-.2762,-.2305;.6816,1.0954,-.6364;-.9638,1.7826,1.2537;-.3067,.5685,.4401;-2.1843,-4.1443,-1.157;-4.2448,.9199,-.9915;2.4884,1.3729,1.3504;1.6658,3.0536,-1.7832;-.3649,3.667,-3.5983;-1.6341,1.9401,-1.7554;-1.3617,-1.4761,3.6355;2.3225,.6648,4.0659;-1.0023,-2.7369,.9732;3.7219,3.5016,.029;-.2765,-4.004,3.4193;3.9588,-.7778,2.3411;-1.4288,2.408,.6542;/R:/0/N:6,9,7,27,5,19,16,15,4,22,12,18,24,28,25,29,21,20,14,23,10,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(9,10)(11,12)(13,14)(15,16)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,25.4</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">-9.22135250</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00165242</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">0.00053879</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">0.00165242</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00053879</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02506068</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">0.00781934</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.253983"
                                 y3="-2.419079"
                                 z3="2.691875"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.523396"
                                 y3="-1.86306"
                                 z3="3.029989"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.071042"
                                 y3="2.335987"
                                 z3="-2.553424"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.479893"
                                 y3="1.028801"
                                 z3="-3.619623"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.301109"
                                 y3="0.571928"
                                 z3="-3.562516"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.725418"
                                 y3="2.14976"
                                 z3="-0.391983"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.741596"
                                 y3="1.048013"
                                 z3="-1.24576"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.519283"
                                 y3="-2.555927"
                                 z3="-0.861547"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.86271"
                                 y3="0.421002"
                                 z3="-1.895185"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.824673"
                                 y3="-1.527004"
                                 z3="-1.825466"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.355928"
                                 y3="-0.141981"
                                 z3="2.528533"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.05236"
                                 y3="-2.496456"
                                 z3="-1.782536"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.407297"
                                 y3="-0.299553"
                                 z3="1.508165"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.438853"
                                 y3="-0.275293"
                                 z3="-0.230115"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.670468"
                                 y3="1.107493"
                                 z3="-0.633296"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.970147"
                                 y3="1.772428"
                                 z3="1.268231"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.312666"
                                 y3="0.567239"
                                 z3="0.442565"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.179201"
                                 y3="-4.13628"
                                 z3="-1.162103"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.246579"
                                 y3="0.909113"
                                 z3="-0.989325"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.481167"
                                 y3="1.37835"
                                 z3="1.355092"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.670987"
                                 y3="3.050585"
                                 z3="-1.786438"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.35943"
                                 y3="3.659262"
                                 z3="-3.598897"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.637957"
                                 y3="1.937827"
                                 z3="-1.76332"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.356317"
                                 y3="-1.462944"
                                 z3="3.635151"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.332947"
                                 y3="0.658846"
                                 z3="4.066668"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.007327"
                                 y3="-2.733766"
                                 z3="0.97532"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.729531"
                                 y3="3.496437"
                                 z3="0.02505"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.27918"
                                 y3="-3.994763"
                                 z3="3.425315"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.959911"
                                 y3="-0.778467"
                                 z3="2.326432"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.439006"
                                 y3="2.404201"
                                 z3="0.679248"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a14" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;+1;-2;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)17-26(9,10)20-2(5,6)19-25(7,8)22-29(15,16,18-1)24-28(13,14)23-27(11,12)21-2/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOO1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s9;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.254,-2.4191,2.6919;1.5234,-1.8631,3.03;.071,2.336,-2.5534;.4799,1.0288,-3.6196;-3.3011,.5719,-3.5625;2.7254,2.1498,-.392;3.7416,1.048,-1.2458;-1.5193,-2.5559,-.8615;-2.8627,.421,-1.8952;-2.8247,-1.527,-1.8255;2.3559,-.142,2.5285;-.0524,-2.4965,-1.7825;.4073,-.2996,1.5082;-1.4389,-.2753,-.2301;.6705,1.1075,-.6333;-.9701,1.7724,1.2682;-.3127,.5672,.4426;-2.1792,-4.1363,-1.1621;-4.2466,.9091,-.9893;2.4812,1.3783,1.3551;1.671,3.0506,-1.7864;-.3594,3.6593,-3.5989;-1.638,1.9378,-1.7633;-1.3563,-1.4629,3.6352;2.3329,.6588,4.0667;-1.0073,-2.7338,.9753;3.7295,3.4964,.025;-.2792,-3.9948,3.4253;3.9599,-.7785,2.3264;-1.439,2.4042,.6792;/R:/0/N:6,9,7,27,5,19,16,15,4,22,12,18,24,28,25,29,21,20,14,23,10,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(9,10)(11,12)(13,14)(15,16)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,25.4</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">-9.22137136</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00192185</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">0.00070625</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">0.00192185</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00070625</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04009707</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">0.01403963</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.253581"
                                 y3="-2.408162"
                                 z3="2.691399"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.529391"
                                 y3="-1.862842"
                                 z3="3.022076"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.073981"
                                 y3="2.325048"
                                 z3="-2.549055"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.483423"
                                 y3="1.01104"
                                 z3="-3.606265"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.338599"
                                 y3="0.590877"
                                 z3="-3.572463"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.723595"
                                 y3="2.145311"
                                 z3="-0.388777"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.727779"
                                 y3="1.023017"
                                 z3="-1.22974"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.506245"
                                 y3="-2.54287"
                                 z3="-0.865792"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.87272"
                                 y3="0.425357"
                                 z3="-1.914036"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.793867"
                                 y3="-1.51948"
                                 z3="-1.865563"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.360291"
                                 y3="-0.141573"
                                 z3="2.524371"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.025311"
                                 y3="-2.489129"
                                 z3="-1.763324"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.411439"
                                 y3="-0.308446"
                                 z3="1.496645"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.448413"
                                 y3="-0.272438"
                                 z3="-0.227325"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.651057"
                                 y3="1.127904"
                                 z3="-0.625836"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.982041"
                                 y3="1.758146"
                                 z3="1.292932"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.323874"
                                 y3="0.567031"
                                 z3="0.449028"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.164194"
                                 y3="-4.123066"
                                 z3="-1.171459"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.249765"
                                 y3="0.889465"
                                 z3="-0.984745"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.463712"
                                 y3="1.389915"
                                 z3="1.364796"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.680696"
                                 y3="3.042853"
                                 z3="-1.792366"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.349022"
                                 y3="3.643904"
                                 z3="-3.603538"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.646209"
                                 y3="1.935692"
                                 z3="-1.777175"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.346114"
                                 y3="-1.44123"
                                 z3="3.634854"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.351808"
                                 y3="0.645874"
                                 z3="4.069697"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.01556"
                                 y3="-2.727322"
                                 z3="0.978496"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.74361"
                                 y3="3.482959"
                                 z3="0.018207"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.282809"
                                 y3="-3.979352"
                                 z3="3.434438"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.961625"
                                 y3="-0.775427"
                                 z3="2.297625"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.455284"
                                 y3="2.399645"
                                 z3="0.718993"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)18-26(10,11)20-2(5,6)21-29(16,17,22-25(7,8)9)24-28(14,15)23-27(12,13)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1O1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2536,-2.4082,2.6914;1.5294,-1.8628,3.0221;.074,2.325,-2.5491;.4834,1.011,-3.6063;-3.3386,.5909,-3.5725;2.7236,2.1453,-.3888;3.7278,1.023,-1.2297;-1.5062,-2.5429,-.8658;-2.8727,.4254,-1.914;-2.7939,-1.5195,-1.8656;2.3603,-.1416,2.5244;-.0253,-2.4891,-1.7633;.4114,-.3084,1.4966;-1.4484,-.2724,-.2273;.6511,1.1279,-.6258;-.982,1.7581,1.2929;-.3239,.567,.449;-2.1642,-4.1231,-1.1715;-4.2498,.8895,-.9847;2.4637,1.3899,1.3648;1.6807,3.0429,-1.7924;-.349,3.6439,-3.6035;-1.6462,1.9357,-1.7772;-1.3461,-1.4412,3.6349;2.3518,.6459,4.0697;-1.0156,-2.7273,.9785;3.7436,3.483,.0182;-.2828,-3.9794,3.4344;3.9616,-.7754,2.2976;-1.4553,2.3996,.719;/R:/0/N:9,6,5,19,7,27,16,14,15,4,22,12,18,24,28,25,29,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,25.4</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">-9.22146401</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00297934</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">0.00098159</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">0.00297934</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00098159</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03686718</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">0.01340599</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.250434"
                                 y3="-2.400968"
                                 z3="2.687813"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.538149"
                                 y3="-1.864285"
                                 z3="3.010282"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.076483"
                                 y3="2.313447"
                                 z3="-2.547373"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.483978"
                                 y3="0.990552"
                                 z3="-3.593848"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.375466"
                                 y3="0.609726"
                                 z3="-3.578012"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.720893"
                                 y3="2.136376"
                                 z3="-0.385358"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.711713"
                                 y3="0.990272"
                                 z3="-1.209855"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.494096"
                                 y3="-2.528845"
                                 z3="-0.871568"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.883561"
                                 y3="0.431545"
                                 z3="-1.928589"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.766616"
                                 y3="-1.509771"
                                 z3="-1.90032"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.361798"
                                 y3="-0.137421"
                                 z3="2.52304"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.001671"
                                 y3="-2.476919"
                                 z3="-1.749085"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.412789"
                                 y3="-0.312186"
                                 z3="1.491272"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.457215"
                                 y3="-0.268135"
                                 z3="-0.222222"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.634388"
                                 y3="1.144444"
                                 z3="-0.616799"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-0.992883"
                                 y3="1.749421"
                                 z3="1.314402"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.334462"
                                 y3="0.568941"
                                 z3="0.457045"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.145337"
                                 y3="-4.110928"
                                 z3="-1.181692"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.252765"
                                 y3="0.87325"
                                 z3="-0.976674"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.441138"
                                 y3="1.40482"
                                 z3="1.376187"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.691544"
                                 y3="3.030262"
                                 z3="-1.799594"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.336621"
                                 y3="3.626588"
                                 z3="-3.613072"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.654539"
                                 y3="1.935763"
                                 z3="-1.790211"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.336052"
                                 y3="-1.428108"
                                 z3="3.633281"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.364159"
                                 y3="0.635371"
                                 z3="4.07601"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.020358"
                                 y3="-2.720964"
                                 z3="0.978768"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.758744"
                                 y3="3.463812"
                                 z3="0.010272"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.279926"
                                 y3="-3.969462"
                                 z3="3.436963"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.963256"
                                 y3="-0.762038"
                                 z3="2.274276"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.468232"
                                 y3="2.398138"
                                 z3="0.750762"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)18-26(10,11)20-2(5,6)21-29(16,17,22-25(7,8)9)24-28(14,15)23-27(12,13)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1O1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2504,-2.401,2.6878;1.5381,-1.8643,3.0103;.0765,2.3134,-2.5474;.484,.9906,-3.5938;-3.3755,.6097,-3.578;2.7209,2.1364,-.3854;3.7117,.9903,-1.2099;-1.4941,-2.5288,-.8716;-2.8836,.4315,-1.9286;-2.7666,-1.5098,-1.9003;2.3618,-.1374,2.523;-.0017,-2.4769,-1.7491;.4128,-.3122,1.4913;-1.4572,-.2681,-.2222;.6344,1.1444,-.6168;-.9929,1.7494,1.3144;-.3345,.5689,.457;-2.1453,-4.1109,-1.1817;-4.2528,.8732,-.9767;2.4411,1.4048,1.3762;1.6915,3.0303,-1.7996;-.3366,3.6266,-3.6131;-1.6545,1.9358,-1.7902;-1.3361,-1.4281,3.6333;2.3642,.6354,4.076;-1.0204,-2.721,.9788;3.7587,3.4638,.0103;-.2799,-3.9695,3.437;3.9633,-.762,2.2743;-1.4682,2.3981,.7508;/R:/0/N:9,6,5,19,7,27,16,14,15,4,22,12,18,24,28,25,29,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,25.4</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">-9.22148611</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00341905</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">0.00106947</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">0.00341905</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00106947</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.07212014</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">0.02307432</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.239535"
                                 y3="-2.396765"
                                 z3="2.67572"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.554391"
                                 y3="-1.863719"
                                 z3="2.993709"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.079389"
                                 y3="2.291714"
                                 z3="-2.54915"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.474252"
                                 y3="0.95258"
                                 z3="-3.578936"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.438223"
                                 y3="0.641918"
                                 z3="-3.576114"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.717748"
                                 y3="2.109635"
                                 z3="-0.382653"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.681751"
                                 y3="0.918152"
                                 z3="-1.173985"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.472475"
                                 y3="-2.502284"
                                 z3="-0.885196"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.903874"
                                 y3="0.445442"
                                 z3="-1.942328"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.728922"
                                 y3="-1.489192"
                                 z3="-1.94675"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.357302"
                                 y3="-0.120842"
                                 z3="2.529248"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.034385"
                                 y3="-2.44207"
                                 z3="-1.736568"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.41057"
                                 y3="-0.310033"
                                 z3="1.493446"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.471561"
                                 y3="-0.259188"
                                 z3="-0.208184"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.611093"
                                 y3="1.163471"
                                 z3="-0.600382"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.009047"
                                 y3="1.74606"
                                 z3="1.343614"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.351379"
                                 y3="0.575539"
                                 z3="0.472926"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.103821"
                                 y3="-4.090421"
                                 z3="-1.205619"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.256233"
                                 y3="0.853295"
                                 z3="-0.952079"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.399435"
                                 y3="1.432791"
                                 z3="1.393851"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.712708"
                                 y3="2.995656"
                                 z3="-1.815814"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.31198"
                                 y3="3.596057"
                                 z3="-3.633353"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.668828"
                                 y3="1.939174"
                                 z3="-1.80876"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.32415"
                                 y3="-1.429251"
                                 z3="3.628545"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.367002"
                                 y3="0.633737"
                                 z3="4.091519"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.018451"
                                 y3="-2.71084"
                                 z3="0.971422"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.78865"
                                 y3="3.417632"
                                 z3="-0.008607"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.261207"
                                 y3="-3.966892"
                                 z3="3.422703"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.963954"
                                 y3="-0.720668"
                                 z3="2.255785"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.484143"
                                 y3="2.402009"
                                 z3="0.788092"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)18-26(10,11)20-2(5,6)21-29(16,17,22-25(7,8)9)24-28(14,15)23-27(12,13)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1O1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2395,-2.3968,2.6757;1.5544,-1.8637,2.9937;.0794,2.2917,-2.5492;.4743,.9526,-3.5789;-3.4382,.6419,-3.5761;2.7177,2.1096,-.3827;3.6818,.9182,-1.174;-1.4725,-2.5023,-.8852;-2.9039,.4454,-1.9423;-2.7289,-1.4892,-1.9467;2.3573,-.1208,2.5292;.0344,-2.4421,-1.7366;.4106,-.31,1.4934;-1.4716,-.2592,-.2082;.6111,1.1635,-.6004;-1.009,1.7461,1.3436;-.3514,.5755,.4729;-2.1038,-4.0904,-1.2056;-4.2562,.8533,-.9521;2.3994,1.4328,1.3939;1.7127,2.9957,-1.8158;-.312,3.5961,-3.6334;-1.6688,1.9392,-1.8088;-1.3241,-1.4293,3.6285;2.367,.6337,4.0915;-1.0185,-2.7108,.9714;3.7887,3.4176,-.0086;-.2612,-3.9669,3.4227;3.964,-.7207,2.2558;-1.4841,2.402,.7881;/R:/0/N:9,6,5,19,7,27,16,14,15,4,22,12,18,24,28,25,29,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,25.4</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">-9.22134782</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00267511</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">0.00099738</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">0.00267511</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00099738</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06637440</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">0.01933668</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.232838"
                                 y3="-2.399412"
                                 z3="2.66372"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.556336"
                                 y3="-1.852792"
                                 z3="3.003911"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.07468"
                                 y3="2.282654"
                                 z3="-2.551785"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.446118"
                                 y3="0.939242"
                                 z3="-3.583843"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.476988"
                                 y3="0.662309"
                                 z3="-3.559852"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.723318"
                                 y3="2.077788"
                                 z3="-0.393737"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.659885"
                                 y3="0.851778"
                                 z3="-1.165457"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.451585"
                                 y3="-2.484481"
                                 z3="-0.900161"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.915867"
                                 y3="0.454921"
                                 z3="-1.936781"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.709904"
                                 y3="-1.475699"
                                 z3="-1.965005"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.345021"
                                 y3="-0.10045"
                                 z3="2.545801"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.060146"
                                 y3="-2.403283"
                                 z3="-1.741294"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.406732"
                                 y3="-0.300548"
                                 z3="1.507276"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.475906"
                                 y3="-0.256366"
                                 z3="-0.192928"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.602133"
                                 y3="1.166315"
                                 z3="-0.591165"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.016298"
                                 y3="1.752447"
                                 z3="1.354455"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.358048"
                                 y3="0.581492"
                                 z3="0.484241"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.057557"
                                 y3="-4.080577"
                                 z3="-1.231179"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.255635"
                                 y3="0.840838"
                                 z3="-0.921392"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.384281"
                                 y3="1.445073"
                                 z3="1.393548"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.729384"
                                 y3="2.960345"
                                 z3="-1.832852"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.30338"
                                 y3="3.590415"
                                 z3="-3.635683"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.680311"
                                 y3="1.945347"
                                 z3="-1.809779"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.336099"
                                 y3="-1.455039"
                                 z3="3.619261"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.342293"
                                 y3="0.66334"
                                 z3="4.103957"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-1.005912"
                                 y3="-2.705038"
                                 z3="0.95824"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.824024"
                                 y3="3.366551"
                                 z3="-0.037353"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.241876"
                                 y3="-3.977821"
                                 z3="3.394227"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.959382"
                                 y3="-0.684858"
                                 z3="2.283682"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.486726"
                                 y3="2.408212"
                                 z3="0.794029"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)18-26(10,11)20-2(5,6)21-29(16,17,22-25(7,8)9)24-28(14,15)23-27(12,13)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1O1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2328,-2.3994,2.6637;1.5563,-1.8528,3.0039;.0747,2.2827,-2.5518;.4461,.9392,-3.5838;-3.477,.6623,-3.5599;2.7233,2.0778,-.3937;3.6599,.8518,-1.1655;-1.4516,-2.4845,-.9002;-2.9159,.4549,-1.9368;-2.7099,-1.4757,-1.965;2.345,-.1004,2.5458;.0601,-2.4033,-1.7413;.4067,-.3005,1.5073;-1.4759,-.2564,-.1929;.6021,1.1663,-.5912;-1.0163,1.7524,1.3545;-.358,.5815,.4842;-2.0576,-4.0806,-1.2312;-4.2556,.8408,-.9214;2.3843,1.4451,1.3935;1.7294,2.9603,-1.8329;-.3034,3.5904,-3.6357;-1.6803,1.9453,-1.8098;-1.3361,-1.455,3.6193;2.3423,.6633,4.104;-1.0059,-2.705,.9582;3.824,3.3666,-.0374;-.2419,-3.9778,3.3942;3.9594,-.6849,2.2837;-1.4867,2.4082,.794;/R:/0/N:9,6,5,19,7,27,16,14,15,4,22,12,18,24,28,25,29,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,25.4</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">-9.22122107</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00401793</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">0.00121621</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">0.00401793</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00121621</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05159304</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">0.01641302</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.233087"
                                 y3="-2.403751"
                                 z3="2.660139"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.542995"
                                 y3="-1.835843"
                                 z3="3.033462"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.066084"
                                 y3="2.287896"
                                 z3="-2.551061"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.414718"
                                 y3="0.952385"
                                 z3="-3.601035"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.480448"
                                 y3="0.664754"
                                 z3="-3.545485"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.733628"
                                 y3="2.054861"
                                 z3="-0.412734"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.650008"
                                 y3="0.814878"
                                 z3="-1.186633"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.43488"
                                 y3="-2.479514"
                                 z3="-0.907409"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.914501"
                                 y3="0.455896"
                                 z3="-1.924231"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.704891"
                                 y3="-1.473886"
                                 z3="-1.957346"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.334087"
                                 y3="-0.088203"
                                 z3="2.560632"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.076184"
                                 y3="-2.375338"
                                 z3="-1.747864"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.40293"
                                 y3="-0.29216"
                                 z3="1.521486"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.476194"
                                 y3="-0.259555"
                                 z3="-0.182071"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.60161"
                                 y3="1.159554"
                                 z3="-0.591021"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.017253"
                                 y3="1.762166"
                                 z3="1.350233"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.358901"
                                 y3="0.58411"
                                 z3="0.488619"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.026407"
                                 y3="-4.078231"
                                 z3="-1.254054"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.252313"
                                 y3="0.836522"
                                 z3="-0.904151"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.403786"
                                 y3="1.437371"
                                 z3="1.380638"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.73361"
                                 y3="2.940566"
                                 z3="-1.844198"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.312871"
                                 y3="3.610749"
                                 z3="-3.615574"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.683461"
                                 y3="1.948636"
                                 z3="-1.796181"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.358844"
                                 y3="-1.484417"
                                 z3="3.613847"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.308871"
                                 y3="0.703708"
                                 z3="4.104199"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.9923"
                                 y3="-2.70689"
                                 z3="0.94863"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.851902"
                                 y3="3.332383"
                                 z3="-0.071636"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.233036"
                                 y3="-3.991344"
                                 z3="3.370516"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.952713"
                                 y3="-0.67724"
                                 z3="2.335275"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.484939"
                                 y3="2.412636"
                                 z3="0.781107"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)18-26(10,11)20-2(5,6)21-29(16,17,22-25(7,8)9)24-28(14,15)23-27(12,13)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1O1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2331,-2.4038,2.6601;1.543,-1.8358,3.0335;.0661,2.2879,-2.5511;.4147,.9524,-3.601;-3.4804,.6648,-3.5455;2.7336,2.0549,-.4127;3.65,.8149,-1.1866;-1.4349,-2.4795,-.9074;-2.9145,.4559,-1.9242;-2.7049,-1.4739,-1.9573;2.3341,-.0882,2.5606;.0762,-2.3753,-1.7479;.4029,-.2922,1.5215;-1.4762,-.2596,-.1821;.6016,1.1596,-.591;-1.0173,1.7622,1.3502;-.3589,.5841,.4886;-2.0264,-4.0782,-1.2541;-4.2523,.8365,-.9042;2.4038,1.4374,1.3806;1.7336,2.9406,-1.8442;-.3129,3.6107,-3.6156;-1.6835,1.9486,-1.7962;-1.3588,-1.4844,3.6138;2.3089,.7037,4.1042;-.9923,-2.7069,.9486;3.8519,3.3324,-.0716;-.233,-3.9913,3.3705;3.9527,-.6772,2.3353;-1.4849,2.4126,.7811;/R:/0/N:9,6,5,19,7,27,16,14,15,4,22,12,18,24,28,25,29,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,25.4</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">-9.22131613</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00348251</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">0.00109705</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">0.00348251</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00109705</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.26789461</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">0.08468443</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.215196"
                                 y3="-2.400816"
                                 z3="2.63465"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.505779"
                                 y3="-1.75334"
                                 z3="3.131948"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.039343"
                                 y3="2.267405"
                                 z3="-2.537898"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.278979"
                                 y3="0.951878"
                                 z3="-3.64125"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.601616"
                                 y3="0.736633"
                                 z3="-3.489606"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.763786"
                                 y3="1.906124"
                                 z3="-0.483837"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.541466"
                                 y3="0.546984"
                                 z3="-1.208414"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.316418"
                                 y3="-2.401965"
                                 z3="-0.953462"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.942429"
                                 y3="0.476861"
                                 z3="-1.911077"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.598246"
                                 y3="-1.422611"
                                 z3="-2.021353"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.288692"
                                 y3="-0.015649"
                                 z3="2.616549"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.221735"
                                 y3="-2.188445"
                                 z3="-1.720724"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.387502"
                                 y3="-0.268163"
                                 z3="1.559225"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.513519"
                                 y3="-0.260593"
                                 z3="-0.116859"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.54676"
                                 y3="1.171381"
                                 z3="-0.56899"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.051341"
                                 y3="1.780555"
                                 z3="1.390113"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.399499"
                                 y3="0.599318"
                                 z3="0.527354"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-1.8240"
                                 y3="-4.007237"
                                 z3="-1.399544"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.240239"
                                 y3="0.76907"
                                 z3="-0.811063"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.41906"
                                 y3="1.437452"
                                 z3="1.349009"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.777486"
                                 y3="2.798798"
                                 z3="-1.913617"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.313802"
                                 y3="3.644057"
                                 z3="-3.539913"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.717323"
                                 y3="1.956286"
                                 z3="-1.771924"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.417799"
                                 y3="-1.58563"
                                 z3="3.588287"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.187694"
                                 y3="0.864847"
                                 z3="4.107267"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.940719"
                                 y3="-2.695963"
                                 z3="0.9042"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="4.003351"
                                 y3="3.091851"
                                 z3="-0.250077"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.167265"
                                 y3="-4.020166"
                                 z3="3.267705"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.922864"
                                 y3="-0.596172"
                                 z3="2.501728"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.516288"
                                 y3="2.429949"
                                 z3="0.817673"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2152,-2.4008,2.6347;1.5058,-1.7533,3.1319;.0393,2.2674,-2.5379;.279,.9519,-3.6412;-3.6016,.7366,-3.4896;2.7638,1.9061,-.4838;3.5415,.547,-1.2084;-1.3164,-2.402,-.9535;-2.9424,.4769,-1.9111;-2.5982,-1.4226,-2.0214;2.2887,-.0156,2.6165;.2217,-2.1884,-1.7207;.3875,-.2682,1.5592;-1.5135,-.2606,-.1169;.5468,1.1714,-.569;-1.0513,1.7806,1.3901;-.3995,.5993,.5274;-1.824,-4.0072,-1.3995;-4.2402,.7691,-.8111;2.4191,1.4375,1.349;1.7775,2.7988,-1.9136;-.3138,3.6441,-3.5399;-1.7173,1.9563,-1.7719;-1.4178,-1.5856,3.5883;2.1877,.8648,4.1073;-.9407,-2.696,.9042;4.0034,3.0919,-.2501;-.1673,-4.0202,3.2677;3.9229,-.5962,2.5017;-1.5163,2.4299,.8177;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22054362</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00620908</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">0.00193797</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">0.00620908</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00193797</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05480876</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">0.01790749</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.220797"
                                 y3="-2.39473"
                                 z3="2.641389"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.508667"
                                 y3="-1.762687"
                                 z3="3.11788"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.050526"
                                 y3="2.266541"
                                 z3="-2.536549"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.319366"
                                 y3="0.95215"
                                 z3="-3.635215"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.603328"
                                 y3="0.725042"
                                 z3="-3.502598"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.762041"
                                 y3="1.945341"
                                 z3="-0.468418"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.560258"
                                 y3="0.601337"
                                 z3="-1.198532"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.33694"
                                 y3="-2.414895"
                                 z3="-0.9445"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.942694"
                                 y3="0.470123"
                                 z3="-1.923414"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.605653"
                                 y3="-1.430241"
                                 z3="-2.028816"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.302632"
                                 y3="-0.032705"
                                 z3="2.601878"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.202195"
                                 y3="-2.229657"
                                 z3="-1.71484"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.395229"
                                 y3="-0.281248"
                                 z3="1.536844"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.516077"
                                 y3="-0.263593"
                                 z3="-0.128432"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.548578"
                                 y3="1.18343"
                                 z3="-0.574122"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.044595"
                                 y3="1.761534"
                                 z3="1.390806"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.395176"
                                 y3="0.590862"
                                 z3="0.515331"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-1.870654"
                                 y3="-4.014862"
                                 z3="-1.376113"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.240478"
                                 y3="0.773989"
                                 z3="-0.825809"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.419934"
                                 y3="1.437658"
                                 z3="1.356763"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.776537"
                                 y3="2.830155"
                                 z3="-1.905123"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.319663"
                                 y3="3.637041"
                                 z3="-3.542268"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.709209"
                                 y3="1.944887"
                                 z3="-1.785624"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.405298"
                                 y3="-1.554318"
                                 z3="3.594971"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.21238"
                                 y3="0.83273"
                                 z3="4.102206"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.961759"
                                 y3="-2.698473"
                                 z3="0.915796"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.984284"
                                 y3="3.14666"
                                 z3="-0.224713"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.181144"
                                 y3="-4.005271"
                                 z3="3.296217"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.930898"
                                 y3="-0.625676"
                                 z3="2.468742"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.51126"
                                 y3="2.421576"
                                 z3="0.832363"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2208,-2.3947,2.6414;1.5087,-1.7627,3.1179;.0505,2.2665,-2.5365;.3194,.9522,-3.6352;-3.6033,.725,-3.5026;2.762,1.9453,-.4684;3.5603,.6013,-1.1985;-1.3369,-2.4149,-.9445;-2.9427,.4701,-1.9234;-2.6057,-1.4302,-2.0288;2.3026,-.0327,2.6019;.2022,-2.2297,-1.7148;.3952,-.2812,1.5368;-1.5161,-.2636,-.1284;.5486,1.1834,-.5741;-1.0446,1.7615,1.3908;-.3952,.5909,.5153;-1.8707,-4.0149,-1.3761;-4.2405,.774,-.8258;2.4199,1.4377,1.3568;1.7765,2.8302,-1.9051;-.3197,3.637,-3.5423;-1.7092,1.9449,-1.7856;-1.4053,-1.5543,3.595;2.2124,.8327,4.1022;-.9618,-2.6985,.9158;3.9843,3.1467,-.2247;-.1811,-4.0053,3.2962;3.9309,-.6257,2.4687;-1.5113,2.4216,.8324;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22093811</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00341473</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">0.00107908</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">0.00341473</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00107908</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05342362</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">0.01734725</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.223256"
                                 y3="-2.398984"
                                 z3="2.646757"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.516605"
                                 y3="-1.780408"
                                 z3="3.097807"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.054868"
                                 y3="2.273132"
                                 z3="-2.541265"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.343577"
                                 y3="0.954933"
                                 z3="-3.630636"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.571144"
                                 y3="0.706371"
                                 z3="-3.512741"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.756108"
                                 y3="1.972954"
                                 z3="-0.455517"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.584913"
                                 y3="0.654761"
                                 z3="-1.198307"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.361848"
                                 y3="-2.43304"
                                 z3="-0.935127"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.935375"
                                 y3="0.466277"
                                 z3="-1.921122"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.634902"
                                 y3="-1.44308"
                                 z3="-2.004812"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.310206"
                                 y3="-0.046581"
                                 z3="2.592842"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.168795"
                                 y3="-2.265213"
                                 z3="-1.726394"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.395425"
                                 y3="-0.282303"
                                 z3="1.535378"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.508007"
                                 y3="-0.262725"
                                 z3="-0.140709"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.563682"
                                 y3="1.17445"
                                 z3="-0.579217"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.035684"
                                 y3="1.764065"
                                 z3="1.376708"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.38577"
                                 y3="0.588605"
                                 z3="0.507715"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-1.913045"
                                 y3="-4.031301"
                                 z3="-1.349107"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.244893"
                                 y3="0.794143"
                                 z3="-0.845055"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.420906"
                                 y3="1.436858"
                                 z3="1.363507"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.765204"
                                 y3="2.858951"
                                 z3="-1.890481"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.320058"
                                 y3="3.634454"
                                 z3="-3.557826"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.699788"
                                 y3="1.944359"
                                 z3="-1.785837"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.393742"
                                 y3="-1.539904"
                                 z3="3.601075"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.228601"
                                 y3="0.802979"
                                 z3="4.102737"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.96675"
                                 y3="-2.703849"
                                 z3="0.922923"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.952083"
                                 y3="3.196277"
                                 z3="-0.191006"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.192142"
                                 y3="-4.004187"
                                 z3="3.314764"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.936988"
                                 y3="-0.639814"
                                 z3="2.444792"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.502757"
                                 y3="2.420521"
                                 z3="0.814253"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;2*+1/rHMo2O22PW4/c3-1(4)17-26(9,10)23-27(11,12)24-29(15,16)20-2(5,6)19-28(13,14,18-1)21-25(7,8)22-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;8;3;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1OOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2233,-2.399,2.6468;1.5166,-1.7804,3.0978;.0549,2.2731,-2.5413;.3436,.9549,-3.6306;-3.5711,.7064,-3.5127;2.7561,1.973,-.4555;3.5849,.6548,-1.1983;-1.3618,-2.433,-.9351;-2.9354,.4663,-1.9211;-2.6349,-1.4431,-2.0048;2.3102,-.0466,2.5928;.1688,-2.2652,-1.7264;.3954,-.2823,1.5354;-1.508,-.2627,-.1407;.5637,1.1744,-.5792;-1.0357,1.7641,1.3767;-.3858,.5886,.5077;-1.913,-4.0313,-1.3491;-4.2449,.7941,-.8451;2.4209,1.4369,1.3635;1.7652,2.859,-1.8905;-.3201,3.6345,-3.5578;-1.6998,1.9444,-1.7858;-1.3937,-1.5399,3.6011;2.2286,.803,4.1027;-.9667,-2.7038,.9229;3.9521,3.1963,-.191;-.1921,-4.0042,3.3148;3.937,-.6398,2.4448;-1.5028,2.4205,.8143;/R:/0/N:9,6,5,19,7,27,16,14,12,18,24,28,4,22,25,29,10,23,21,20,15,13,26,2,17,8,1,3,11/E:(3,4)(5,6)(9,10)(11,12)(13,14)(15,16)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,25.4</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">-9.22111642</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00267212</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">0.00083736</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">0.00267212</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00083736</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03865380</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">0.01363871</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.222668"
                                 y3="-2.40626"
                                 z3="2.648801"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.524752"
                                 y3="-1.796744"
                                 z3="3.077425"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.059729"
                                 y3="2.274305"
                                 z3="-2.549629"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.364776"
                                 y3="0.953667"
                                 z3="-3.631228"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.549866"
                                 y3="0.692608"
                                 z3="-3.51037"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.750082"
                                 y3="1.991804"
                                 z3="-0.444824"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.604302"
                                 y3="0.693414"
                                 z3="-1.193237"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.380448"
                                 y3="-2.445868"
                                 z3="-0.930716"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.932111"
                                 y3="0.464819"
                                 z3="-1.909901"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.664238"
                                 y3="-1.451126"
                                 z3="-1.979864"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.314436"
                                 y3="-0.056143"
                                 z3="2.589015"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.139278"
                                 y3="-2.283729"
                                 z3="-1.744313"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.392616"
                                 y3="-0.278023"
                                 z3="1.53928"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.502063"
                                 y3="-0.261145"
                                 z3="-0.145107"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.579697"
                                 y3="1.160831"
                                 z3="-0.583825"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.027249"
                                 y3="1.773743"
                                 z3="1.358474"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.376926"
                                 y3="0.58826"
                                 z3="0.502185"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-1.941897"
                                 y3="-4.042671"
                                 z3="-1.33455"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.24854"
                                 y3="0.816811"
                                 z3="-0.850769"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.421115"
                                 y3="1.436499"
                                 z3="1.370786"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.756998"
                                 y3="2.877051"
                                 z3="-1.882816"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.320844"
                                 y3="3.627362"
                                 z3="-3.574781"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.688529"
                                 y3="1.941966"
                                 z3="-1.783894"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.384483"
                                 y3="-1.534304"
                                 z3="3.602045"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.226089"
                                 y3="0.779259"
                                 z3="4.106376"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.963701"
                                 y3="-2.711467"
                                 z3="0.923827"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.923776"
                                 y3="3.23408"
                                 z3="-0.16738"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.195135"
                                 y3="-4.006879"
                                 z3="3.327243"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.942822"
                                 y3="-0.64423"
                                 z3="2.439132"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.49297"
                                 y3="2.424812"
                                 z3="0.788714"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)18-26(10,11)20-2(5,6)21-29(16,17,22-25(7,8)9)24-28(14,15)23-27(12,13)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1O1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2227,-2.4063,2.6488;1.5248,-1.7967,3.0774;.0597,2.2743,-2.5496;.3648,.9537,-3.6312;-3.5499,.6926,-3.5104;2.7501,1.9918,-.4448;3.6043,.6934,-1.1932;-1.3804,-2.4459,-.9307;-2.9321,.4648,-1.9099;-2.6642,-1.4511,-1.9799;2.3144,-.0561,2.589;.1393,-2.2837,-1.7443;.3926,-.278,1.5393;-1.5021,-.2611,-.1451;.5797,1.1608,-.5838;-1.0272,1.7737,1.3585;-.3769,.5883,.5022;-1.9419,-4.0427,-1.3345;-4.2485,.8168,-.8508;2.4211,1.4365,1.3708;1.757,2.8771,-1.8828;-.3208,3.6274,-3.5748;-1.6885,1.942,-1.7839;-1.3845,-1.5343,3.602;2.2261,.7793,4.1064;-.9637,-2.7115,.9238;3.9238,3.2341,-.1674;-.1951,-4.0069,3.3272;3.9428,-.6442,2.4391;-1.493,2.4248,.7887;/R:/0/N:9,6,5,19,7,27,16,14,15,4,22,12,18,24,28,25,29,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,25.4</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">-9.22124951</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00159626</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">0.00048256</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">0.00159626</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00048256</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02436020</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">0.00846878</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.215212"
                                 y3="-2.413763"
                                 z3="2.643857"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.532683"
                                 y3="-1.801969"
                                 z3="3.065215"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.061393"
                                 y3="2.265923"
                                 z3="-2.556493"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.36496"
                                 y3="0.943239"
                                 z3="-3.635937"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.562023"
                                 y3="0.695245"
                                 z3="-3.500658"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.74625"
                                 y3="1.982738"
                                 z3="-0.442866"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.598005"
                                 y3="0.678087"
                                 z3="-1.182599"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.37706"
                                 y3="-2.439918"
                                 z3="-0.935072"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.938137"
                                 y3="0.468511"
                                 z3="-1.902339"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.670988"
                                 y3="-1.4465"
                                 z3="-1.97432"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.311598"
                                 y3="-0.051899"
                                 z3="2.595139"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.138313"
                                 y3="-2.265545"
                                 z3="-1.754198"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.385718"
                                 y3="-0.269405"
                                 z3="1.548449"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.507324"
                                 y3="-0.256426"
                                 z3="-0.137244"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.581065"
                                 y3="1.153488"
                                 z3="-0.582771"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.026865"
                                 y3="1.788522"
                                 z3="1.352692"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.379738"
                                 y3="0.593472"
                                 z3="0.505851"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-1.933029"
                                 y3="-4.036539"
                                 z3="-1.346402"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.248891"
                                 y3="0.826885"
                                 z3="-0.837997"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.416999"
                                 y3="1.440101"
                                 z3="1.376811"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.758653"
                                 y3="2.865676"
                                 z3="-1.888386"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.316118"
                                 y3="3.618003"
                                 z3="-3.583893"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.685714"
                                 y3="1.939021"
                                 z3="-1.785336"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.378603"
                                 y3="-1.546888"
                                 z3="3.599784"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.201729"
                                 y3="0.777654"
                                 z3="4.114098"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.950377"
                                 y3="-2.716637"
                                 z3="0.915731"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.923262"
                                 y3="3.223353"
                                 z3="-0.173802"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.18079"
                                 y3="-4.014567"
                                 z3="3.321542"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.946517"
                                 y3="-0.625563"
                                 z3="2.4595"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.487478"
                                 y3="2.438401"
                                 z3="0.777744"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)18-26(10,11)20-2(5,6)21-29(16,17,22-25(7,8)9)24-28(14,15)23-27(12,13)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1O1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2152,-2.4138,2.6439;1.5327,-1.802,3.0652;.0614,2.2659,-2.5565;.365,.9432,-3.6359;-3.562,.6952,-3.5007;2.7462,1.9827,-.4429;3.598,.6781,-1.1826;-1.3771,-2.4399,-.9351;-2.9381,.4685,-1.9023;-2.671,-1.4465,-1.9743;2.3116,-.0519,2.5951;.1383,-2.2655,-1.7542;.3857,-.2694,1.5484;-1.5073,-.2564,-.1372;.5811,1.1535,-.5828;-1.0269,1.7885,1.3527;-.3797,.5935,.5059;-1.933,-4.0365,-1.3464;-4.2489,.8269,-.838;2.417,1.4401,1.3768;1.7587,2.8657,-1.8884;-.3161,3.618,-3.5839;-1.6857,1.939,-1.7853;-1.3786,-1.5469,3.5998;2.2017,.7777,4.1141;-.9504,-2.7166,.9157;3.9233,3.2234,-.1738;-.1808,-4.0146,3.3215;3.9465,-.6256,2.4595;-1.4875,2.4384,.7777;/R:/0/N:9,6,5,19,7,27,16,14,15,4,22,12,18,24,28,25,29,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,25.4</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">-9.22123124</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00166900</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">0.00050823</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">0.00166900</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00050823</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01857062</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">0.00536581</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.210519"
                                 y3="-2.418523"
                                 z3="2.640558"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.538535"
                                 y3="-1.806084"
                                 z3="3.055619"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.064098"
                                 y3="2.258935"
                                 z3="-2.560777"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.36852"
                                 y3="0.936784"
                                 z3="-3.640438"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.57509"
                                 y3="0.698438"
                                 z3="-3.494022"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.744439"
                                 y3="1.981074"
                                 z3="-0.44088"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.595867"
                                 y3="0.673994"
                                 z3="-1.176612"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.377335"
                                 y3="-2.436345"
                                 z3="-0.936907"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.942477"
                                 y3="0.470734"
                                 z3="-1.899208"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.675887"
                                 y3="-1.443478"
                                 z3="-1.973083"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.31081"
                                 y3="-0.050032"
                                 z3="2.598927"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.135039"
                                 y3="-2.258388"
                                 z3="-1.760495"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.382198"
                                 y3="-0.265105"
                                 z3="1.551739"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.510487"
                                 y3="-0.253872"
                                 z3="-0.133186"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.581643"
                                 y3="1.150227"
                                 z3="-0.583869"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.026572"
                                 y3="1.795032"
                                 z3="1.349434"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.381095"
                                 y3="0.595874"
                                 z3="0.506917"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-1.932171"
                                 y3="-4.032754"
                                 z3="-1.350161"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.245952"
                                 y3="0.834149"
                                 z3="-0.827413"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.416325"
                                 y3="1.440151"
                                 z3="1.379445"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.761053"
                                 y3="2.860217"
                                 z3="-1.892305"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.313523"
                                 y3="3.610647"
                                 z3="-3.588568"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.683323"
                                 y3="1.934797"
                                 z3="-1.789622"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.374484"
                                 y3="-1.553957"
                                 z3="3.597929"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.183159"
                                 y3="0.776123"
                                 z3="4.118241"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.94225"
                                 y3="-2.720733"
                                 z3="0.911108"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.922666"
                                 y3="3.221147"
                                 z3="-0.174764"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.17196"
                                 y3="-4.018858"
                                 z3="3.319133"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.950571"
                                 y3="-0.613495"
                                 z3="2.47678"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.482996"
                                 y3="2.4460"
                                 z3="0.77258"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)18-26(10,11)20-2(5,6)21-29(16,17,22-25(7,8)9)24-28(14,15)23-27(12,13)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1O1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2105,-2.4185,2.6406;1.5385,-1.8061,3.0556;.0641,2.2589,-2.5608;.3685,.9368,-3.6404;-3.5751,.6984,-3.494;2.7444,1.9811,-.4409;3.5959,.674,-1.1766;-1.3773,-2.4363,-.9369;-2.9425,.4707,-1.8992;-2.6759,-1.4435,-1.9731;2.3108,-.05,2.5989;.135,-2.2584,-1.7605;.3822,-.2651,1.5517;-1.5105,-.2539,-.1332;.5816,1.1502,-.5839;-1.0266,1.795,1.3494;-.3811,.5959,.5069;-1.9322,-4.0328,-1.3502;-4.246,.8341,-.8274;2.4163,1.4402,1.3794;1.7611,2.8602,-1.8923;-.3135,3.6106,-3.5886;-1.6833,1.9348,-1.7896;-1.3745,-1.554,3.5979;2.1832,.7761,4.1182;-.9423,-2.7207,.9111;3.9227,3.2211,-.1748;-.172,-4.0189,3.3191;3.9506,-.6135,2.4768;-1.483,2.446,.7726;/R:/0/N:9,6,5,19,7,27,16,14,15,4,22,12,18,24,28,25,29,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,25.4</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">-9.22124162</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00165413</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">0.00047624</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">0.00165413</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00047624</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03416337</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">0.00836545</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.205774"
                                 y3="-2.423579"
                                 z3="2.636341"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.540549"
                                 y3="-1.804946"
                                 z3="3.054241"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.064399"
                                 y3="2.252798"
                                 z3="-2.563294"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.362848"
                                 y3="0.933889"
                                 z3="-3.648616"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.592625"
                                 y3="0.704642"
                                 z3="-3.483164"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.745706"
                                 y3="1.971801"
                                 z3="-0.444506"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.590113"
                                 y3="0.658732"
                                 z3="-1.177543"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.371977"
                                 y3="-2.430268"
                                 z3="-0.94112"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.947296"
                                 y3="0.472994"
                                 z3="-1.893903"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.677243"
                                 y3="-1.439555"
                                 z3="-1.972536"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.3072"
                                 y3="-0.044695"
                                 z3="2.60666"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.137682"
                                 y3="-2.242384"
                                 z3="-1.76724"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.378324"
                                 y3="-0.25949"
                                 z3="1.55729"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.514069"
                                 y3="-0.25292"
                                 z3="-0.126427"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.580585"
                                 y3="1.14577"
                                 z3="-0.585242"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.02609"
                                 y3="1.802919"
                                 z3="1.345712"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.383158"
                                 y3="0.598226"
                                 z3="0.508963"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-1.921357"
                                 y3="-4.026877"
                                 z3="-1.360852"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.241676"
                                 y3="0.83755"
                                 z3="-0.811183"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.421021"
                                 y3="1.436061"
                                 z3="1.377556"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.765042"
                                 y3="2.848509"
                                 z3="-1.899265"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.313495"
                                 y3="3.608836"
                                 z3="-3.585252"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.682708"
                                 y3="1.930869"
                                 z3="-1.790646"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.376041"
                                 y3="-1.567216"
                                 z3="3.593405"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.153656"
                                 y3="0.787134"
                                 z3="4.120321"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.929657"
                                 y3="-2.724916"
                                 z3="0.903732"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.930465"
                                 y3="3.20705"
                                 z3="-0.185408"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.1612"
                                 y3="-4.025242"
                                 z3="3.311391"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.952516"
                                 y3="-0.59794"
                                 z3="2.510943"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.476938"
                                 y3="2.454947"
                                 z3="0.765741"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)18-26(10,11)20-2(5,6)21-29(16,17,22-25(7,8)9)24-28(14,15)23-27(12,13)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1O1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2058,-2.4236,2.6363;1.5405,-1.8049,3.0542;.0644,2.2528,-2.5633;.3628,.9339,-3.6486;-3.5926,.7046,-3.4832;2.7457,1.9718,-.4445;3.5901,.6587,-1.1775;-1.372,-2.4303,-.9411;-2.9473,.473,-1.8939;-2.6772,-1.4396,-1.9725;2.3072,-.0447,2.6067;.1377,-2.2424,-1.7672;.3783,-.2595,1.5573;-1.5141,-.2529,-.1264;.5806,1.1458,-.5852;-1.0261,1.8029,1.3457;-.3832,.5982,.509;-1.9214,-4.0269,-1.3609;-4.2417,.8376,-.8112;2.421,1.4361,1.3776;1.765,2.8485,-1.8993;-.3135,3.6088,-3.5853;-1.6827,1.9309,-1.7906;-1.376,-1.5672,3.5934;2.1537,.7871,4.1203;-.9297,-2.7249,.9037;3.9305,3.2071,-.1854;-.1612,-4.0252,3.3114;3.9525,-.5979,2.5109;-1.4769,2.4549,.7657;/R:/0/N:9,6,5,19,7,27,16,14,15,4,22,12,18,24,28,25,29,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,25.4</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">-9.22121572</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00157171</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">0.00049114</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">0.00157171</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00049114</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02505862</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">0.00546851</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.207381"
                                 y3="-2.425079"
                                 z3="2.636744"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.539115"
                                 y3="-1.805757"
                                 z3="3.055504"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.064277"
                                 y3="2.254901"
                                 z3="-2.561136"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.3617"
                                 y3="0.941358"
                                 z3="-3.653416"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.596458"
                                 y3="0.705524"
                                 z3="-3.478268"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.749829"
                                 y3="1.974007"
                                 z3="-0.448353"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.597819"
                                 y3="0.668864"
                                 z3="-1.191613"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.375291"
                                 y3="-2.433361"
                                 z3="-0.940722"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.946473"
                                 y3="0.471592"
                                 z3="-1.89119"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.682449"
                                 y3="-1.442203"
                                 z3="-1.968465"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.307441"
                                 y3="-0.045864"
                                 z3="2.609637"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.131258"
                                 y3="-2.2483"
                                 z3="-1.773062"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.379812"
                                 y3="-0.259336"
                                 z3="1.556708"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.509863"
                                 y3="-0.256287"
                                 z3="-0.128797"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.584005"
                                 y3="1.141934"
                                 z3="-0.590173"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.022848"
                                 y3="1.802484"
                                 z3="1.339029"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.379337"
                                 y3="0.595877"
                                 z3="0.505937"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-1.927227"
                                 y3="-4.030277"
                                 z3="-1.356038"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.236917"
                                 y3="0.838015"
                                 z3="-0.804582"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.431784"
                                 y3="1.424715"
                                 z3="1.370161"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.765347"
                                 y3="2.851722"
                                 z3="-1.898325"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.317201"
                                 y3="3.615225"
                                 z3="-3.576152"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.681986"
                                 y3="1.928847"
                                 z3="-1.789661"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.379861"
                                 y3="-1.567181"
                                 z3="3.589832"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.138009"
                                 y3="0.795355"
                                 z3="4.116401"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.925102"
                                 y3="-2.727684"
                                 z3="0.90298"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.929597"
                                 y3="3.212975"
                                 z3="-0.182297"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.165405"
                                 y3="-4.026367"
                                 z3="3.312782"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.954968"
                                 y3="-0.596384"
                                 z3="2.536002"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.47236"
                                 y3="2.453383"
                                 z3="0.756635"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)18-26(10,11)20-2(5,6)21-29(16,17,22-25(7,8)9)24-28(14,15)23-27(12,13)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1O1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2074,-2.4251,2.6367;1.5391,-1.8058,3.0555;.0643,2.2549,-2.5611;.3617,.9414,-3.6534;-3.5965,.7055,-3.4783;2.7498,1.974,-.4484;3.5978,.6689,-1.1916;-1.3753,-2.4334,-.9407;-2.9465,.4716,-1.8912;-2.6824,-1.4422,-1.9685;2.3074,-.0459,2.6096;.1313,-2.2483,-1.7731;.3798,-.2593,1.5567;-1.5099,-.2563,-.1288;.584,1.1419,-.5902;-1.0228,1.8025,1.339;-.3793,.5959,.5059;-1.9272,-4.0303,-1.356;-4.2369,.838,-.8046;2.4318,1.4247,1.3702;1.7653,2.8517,-1.8983;-.3172,3.6152,-3.5762;-1.682,1.9288,-1.7897;-1.3799,-1.5672,3.5898;2.138,.7954,4.1164;-.9251,-2.7277,.903;3.9296,3.213,-.1823;-.1654,-4.0264,3.3128;3.955,-.5964,2.536;-1.4724,2.4534,.7566;/R:/0/N:9,6,5,19,7,27,16,14,15,4,22,12,18,24,28,25,29,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,25.4</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">-9.22126877</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00130669</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">0.00036227</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">0.00130669</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00036227</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04818423</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">0.00978322</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.208483"
                                 y3="-2.426753"
                                 z3="2.63641"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.536586"
                                 y3="-1.803415"
                                 z3="3.060745"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.062107"
                                 y3="2.260377"
                                 z3="-2.554856"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.351786"
                                 y3="0.955957"
                                 z3="-3.660088"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.604379"
                                 y3="0.710072"
                                 z3="-3.468417"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.75923"
                                 y3="1.967643"
                                 z3="-0.459388"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.605058"
                                 y3="0.669589"
                                 z3="-1.217888"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.375408"
                                 y3="-2.435424"
                                 z3="-0.942311"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.945739"
                                 y3="0.470191"
                                 z3="-1.885771"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.684406"
                                 y3="-1.444335"
                                 z3="-1.965768"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.305549"
                                 y3="-0.043433"
                                 z3="2.617174"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.127433"
                                 y3="-2.250518"
                                 z3="-1.781323"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.381022"
                                 y3="-0.257066"
                                 z3="1.558497"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.504047"
                                 y3="-0.262729"
                                 z3="-0.12999"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.587166"
                                 y3="1.136907"
                                 z3="-0.595743"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.021172"
                                 y3="1.802525"
                                 z3="1.329263"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.375281"
                                 y3="0.592813"
                                 z3="0.503182"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-1.928154"
                                 y3="-4.032938"
                                 z3="-1.354732"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.231121"
                                 y3="0.832416"
                                 z3="-0.792099"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.449364"
                                 y3="1.405496"
                                 z3="1.3557"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.768187"
                                 y3="2.8511"
                                 z3="-1.898523"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.322275"
                                 y3="3.630585"
                                 z3="-3.55561"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.683237"
                                 y3="1.928485"
                                 z3="-1.784372"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.386725"
                                 y3="-1.569553"
                                 z3="3.583073"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.105956"
                                 y3="0.817928"
                                 z3="4.108705"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.913988"
                                 y3="-2.730481"
                                 z3="0.899697"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.938354"
                                 y3="3.20607"
                                 z3="-0.187258"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.168949"
                                 y3="-4.028432"
                                 z3="3.311686"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.956599"
                                 y3="-0.588543"
                                 z3="2.584186"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.472232"
                                 y3="2.448168"
                                 z3="0.741919"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)18-26(10,11)20-2(5,6)21-29(16,17,22-25(7,8)9)24-28(14,15)23-27(12,13)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1O1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2085,-2.4268,2.6364;1.5366,-1.8034,3.0607;.0621,2.2604,-2.5549;.3518,.956,-3.6601;-3.6044,.7101,-3.4684;2.7592,1.9676,-.4594;3.6051,.6696,-1.2179;-1.3754,-2.4354,-.9423;-2.9457,.4702,-1.8858;-2.6844,-1.4443,-1.9658;2.3055,-.0434,2.6172;.1274,-2.2505,-1.7813;.381,-.2571,1.5585;-1.504,-.2627,-.13;.5872,1.1369,-.5957;-1.0212,1.8025,1.3293;-.3753,.5928,.5032;-1.9282,-4.0329,-1.3547;-4.2311,.8324,-.7921;2.4494,1.4055,1.3557;1.7682,2.8511,-1.8985;-.3223,3.6306,-3.5556;-1.6832,1.9285,-1.7844;-1.3867,-1.5696,3.5831;2.106,.8179,4.1087;-.914,-2.7305,.8997;3.9384,3.2061,-.1873;-.1689,-4.0284,3.3117;3.9566,-.5885,2.5842;-1.4722,2.4482,.7419;/R:/0/N:9,6,5,19,7,27,16,14,15,4,22,12,18,24,28,25,29,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,25.4</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">-9.22130840</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00088653</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">0.00033891</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">0.00088653</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00033891</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03938090</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">0.00760891</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.205533"
                                 y3="-2.429575"
                                 z3="2.634829"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.539375"
                                 y3="-1.804057"
                                 z3="3.058793"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.061986"
                                 y3="2.262905"
                                 z3="-2.550832"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.348146"
                                 y3="0.964661"
                                 z3="-3.664178"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.610666"
                                 y3="0.713297"
                                 z3="-3.460588"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.765624"
                                 y3="1.960934"
                                 z3="-0.466331"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.609541"
                                 y3="0.666564"
                                 z3="-1.233522"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.376549"
                                 y3="-2.43616"
                                 z3="-0.943734"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.946449"
                                 y3="0.47026"
                                 z3="-1.88071"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.687655"
                                 y3="-1.444464"
                                 z3="-1.963356"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.304463"
                                 y3="-0.040603"
                                 z3="2.623571"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.122105"
                                 y3="-2.252666"
                                 z3="-1.790348"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.380118"
                                 y3="-0.25336"
                                 z3="1.561121"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.50162"
                                 y3="-0.266433"
                                 z3="-0.130385"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.589486"
                                 y3="1.132891"
                                 z3="-0.598534"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.022068"
                                 y3="1.805517"
                                 z3="1.320488"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.373881"
                                 y3="0.591812"
                                 z3="0.501717"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-1.933627"
                                 y3="-4.032771"
                                 z3="-1.354071"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.22834"
                                 y3="0.830837"
                                 z3="-0.782414"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.461387"
                                 y3="1.392696"
                                 z3="1.347534"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.770542"
                                 y3="2.850081"
                                 z3="-1.897988"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.32396"
                                 y3="3.6395"
                                 z3="-3.542266"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.683105"
                                 y3="1.928129"
                                 z3="-1.780449"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.386114"
                                 y3="-1.572517"
                                 z3="3.578614"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.076033"
                                 y3="0.832258"
                                 z3="4.104027"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.902085"
                                 y3="-2.733262"
                                 z3="0.895295"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.945002"
                                 y3="3.198603"
                                 z3="-0.192786"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.166655"
                                 y3="-4.031089"
                                 z3="3.310478"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.959085"
                                 y3="-0.576505"
                                 z3="2.623567"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.475785"
                                 y3="2.445217"
                                 z3="0.728559"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)18-26(10,11)20-2(5,6)21-29(16,17,22-25(7,8)9)24-28(14,15)23-27(12,13)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1O1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.2055,-2.4296,2.6348;1.5394,-1.8041,3.0588;.062,2.2629,-2.5508;.3481,.9647,-3.6642;-3.6107,.7133,-3.4606;2.7656,1.9609,-.4663;3.6095,.6666,-1.2335;-1.3765,-2.4362,-.9437;-2.9464,.4703,-1.8807;-2.6877,-1.4445,-1.9634;2.3045,-.0406,2.6236;.1221,-2.2527,-1.7903;.3801,-.2534,1.5611;-1.5016,-.2664,-.1304;.5895,1.1329,-.5985;-1.0221,1.8055,1.3205;-.3739,.5918,.5017;-1.9336,-4.0328,-1.3541;-4.2283,.8308,-.7824;2.4614,1.3927,1.3475;1.7705,2.8501,-1.898;-.324,3.6395,-3.5423;-1.6831,1.9281,-1.7804;-1.3861,-1.5725,3.5786;2.076,.8323,4.104;-.9021,-2.7333,.8953;3.945,3.1986,-.1928;-.1667,-4.0311,3.3105;3.9591,-.5765,2.6236;-1.4758,2.4452,.7286;/R:/0/N:9,6,5,19,7,27,16,14,15,4,22,12,18,24,28,25,29,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,25.4</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">-9.22136895</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00102324</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">0.00036453</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">0.00102324</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00036453</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.06124322</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">0.01243662</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.195775"
                                 y3="-2.433413"
                                 z3="2.629809"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.54912"
                                 y3="-1.804902"
                                 z3="3.051474"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.062278"
                                 y3="2.265564"
                                 z3="-2.543451"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.343003"
                                 y3="0.974415"
                                 z3="-3.666085"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.620599"
                                 y3="0.720792"
                                 z3="-3.450203"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.775724"
                                 y3="1.945026"
                                 z3="-0.476753"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.610347"
                                 y3="0.648872"
                                 z3="-1.251358"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.377111"
                                 y3="-2.434237"
                                 z3="-0.947651"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.949422"
                                 y3="0.472654"
                                 z3="-1.874008"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.689313"
                                 y3="-1.440959"
                                 z3="-1.965477"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.302582"
                                 y3="-0.032598"
                                 z3="2.634587"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.115266"
                                 y3="-2.256782"
                                 z3="-1.806324"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.377336"
                                 y3="-0.24555"
                                 z3="1.566199"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.49999"
                                 y3="-0.270784"
                                 z3="-0.130964"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.590394"
                                 y3="1.130362"
                                 z3="-0.598767"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.029389"
                                 y3="1.809988"
                                 z3="1.309999"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.374922"
                                 y3="0.592002"
                                 z3="0.501693"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-1.944533"
                                 y3="-4.028643"
                                 z3="-1.352566"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.227236"
                                 y3="0.827346"
                                 z3="-0.768907"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.476665"
                                 y3="1.377898"
                                 z3="1.338194"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.776201"
                                 y3="2.845141"
                                 z3="-1.897203"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.323474"
                                 y3="3.650186"
                                 z3="-3.523702"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.684297"
                                 y3="1.929933"
                                 z3="-1.773393"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.379014"
                                 y3="-1.578328"
                                 z3="3.571821"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.027271"
                                 y3="0.852916"
                                 z3="4.099266"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.88058"
                                 y3="-2.735122"
                                 z3="0.885893"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.961566"
                                 y3="3.177014"
                                 z3="-0.207646"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.155375"
                                 y3="-4.034887"
                                 z3="3.305477"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.962927"
                                 y3="-0.549123"
                                 z3="2.68481"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.490851"
                                 y3="2.43792"
                                 z3="0.711338"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-1;;;;;;;;;;;;;;;;;;;;;;+1/rHMo2O22PW4/c3-1(4)18-26(10,11)20-2(5,6)21-29(16,17,22-25(7,8)9)24-28(14,15)23-27(12,13)19-1/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1O1OP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.1958,-2.4334,2.6298;1.5491,-1.8049,3.0515;.0623,2.2656,-2.5435;.343,.9744,-3.6661;-3.6206,.7208,-3.4502;2.7757,1.945,-.4768;3.6103,.6489,-1.2514;-1.3771,-2.4342,-.9477;-2.9494,.4727,-1.874;-2.6893,-1.441,-1.9655;2.3026,-.0326,2.6346;.1153,-2.2568,-1.8063;.3773,-.2455,1.5662;-1.5,-.2708,-.131;.5904,1.1304,-.5988;-1.0294,1.81,1.31;-.3749,.592,.5017;-1.9445,-4.0286,-1.3526;-4.2272,.8273,-.7689;2.4767,1.3779,1.3382;1.7762,2.8451,-1.8972;-.3235,3.6502,-3.5237;-1.6843,1.9299,-1.7734;-1.379,-1.5783,3.5718;2.0273,.8529,4.0993;-.8806,-2.7351,.8859;3.9616,3.177,-.2076;-.1554,-4.0349,3.3055;3.9629,-.5491,2.6848;-1.4909,2.4379,.7113;/R:/0/N:9,6,5,19,7,27,16,14,15,4,22,12,18,24,28,25,29,23,10,21,20,13,26,2,17,3,8,1,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,25.4</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">-9.22137373</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00129388</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">0.00032324</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">0.00129388</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00032324</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01618184</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">0.00544852</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.188502"
                                 y3="-2.432103"
                                 z3="2.626495"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.556272"
                                 y3="-1.804153"
                                 z3="3.046182"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.06272"
                                 y3="2.267317"
                                 z3="-2.538407"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.343927"
                                 y3="0.975038"
                                 z3="-3.659569"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.616692"
                                 y3="0.723614"
                                 z3="-3.453238"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.779685"
                                 y3="1.940622"
                                 z3="-0.478512"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.606703"
                                 y3="0.638784"
                                 z3="-1.251633"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.379503"
                                 y3="-2.433866"
                                 z3="-0.949156"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.949779"
                                 y3="0.47469"
                                 z3="-1.875379"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.68725"
                                 y3="-1.437897"
                                 z3="-1.972234"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.304286"
                                 y3="-0.028397"
                                 z3="2.637445"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.110454"
                                 y3="-2.270404"
                                 z3="-1.814769"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.377525"
                                 y3="-0.243087"
                                 z3="1.566004"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.499397"
                                 y3="-0.272213"
                                 z3="-0.135454"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.588665"
                                 y3="1.135913"
                                 z3="-0.594747"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.038371"
                                 y3="1.806761"
                                 z3="1.310946"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.377336"
                                 y3="0.592444"
                                 z3="0.502188"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-1.960715"
                                 y3="-4.025862"
                                 z3="-1.343889"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.230611"
                                 y3="0.825568"
                                 z3="-0.772329"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.480569"
                                 y3="1.378766"
                                 z3="1.338604"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.778326"
                                 y3="2.845771"
                                 z3="-1.894438"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.32213"
                                 y3="3.65139"
                                 z3="-3.519794"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.68571"
                                 y3="1.933429"
                                 z3="-1.769221"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.370555"
                                 y3="-1.577902"
                                 z3="3.570688"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="2.016209"
                                 y3="0.855923"
                                 z3="4.100241"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.873967"
                                 y3="-2.732251"
                                 z3="0.882292"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.971503"
                                 y3="3.167831"
                                 z3="-0.215732"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.14663"
                                 y3="-4.033616"
                                 z3="3.302036"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.966044"
                                 y3="-0.538943"
                                 z3="2.699194"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.506941"
                                 y3="2.429533"
                                 z3="0.712285"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-2;;;;;;;;;;;;;;;;;;;;;2*+1/rHMo2O22PW4/c3-1(4)17-26(9,10)23-27(11,12)24-29(15,16)20-2(5,6)19-28(13,14,18-1)21-25(7,8)22-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;8;3;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3.1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OO1OOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.1885,-2.4321,2.6265;1.5563,-1.8042,3.0462;.0627,2.2673,-2.5384;.3439,.975,-3.6596;-3.6167,.7236,-3.4532;2.7797,1.9406,-.4785;3.6067,.6388,-1.2516;-1.3795,-2.4339,-.9492;-2.9498,.4747,-1.8754;-2.6873,-1.4379,-1.9722;2.3043,-.0284,2.6374;.1105,-2.2704,-1.8148;.3775,-.2431,1.566;-1.4994,-.2722,-.1355;.5887,1.1359,-.5947;-1.0384,1.8068,1.3109;-.3773,.5924,.5022;-1.9607,-4.0259,-1.3439;-4.2306,.8256,-.7723;2.4806,1.3788,1.3386;1.7783,2.8458,-1.8944;-.3221,3.6514,-3.5198;-1.6857,1.9334,-1.7692;-1.3706,-1.5779,3.5707;2.0162,.8559,4.1002;-.874,-2.7323,.8823;3.9715,3.1678,-.2157;-.1466,-4.0336,3.302;3.966,-.5389,2.6992;-1.5069,2.4295,.7123;/R:/0/N:9,6,5,19,7,27,16,14,12,18,24,28,4,22,25,29,10,23,21,20,15,13,26,2,17,8,1,3,11/E:(3,4)(5,6)(9,10)(11,12)(13,14)(15,16)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,25.4</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">-9.22141527</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00098968</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">0.00026585</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">0.00098968</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00026585</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03224952</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">0.00892515</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.17732"
                                 y3="-2.431978"
                                 z3="2.620312"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.565484"
                                 y3="-1.800653"
                                 z3="3.04186"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.06264"
                                 y3="2.269369"
                                 z3="-2.531556"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.339824"
                                 y3="0.97657"
                                 z3="-3.653074"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.613462"
                                 y3="0.730592"
                                 z3="-3.453586"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.786322"
                                 y3="1.932921"
                                 z3="-0.482383"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.598285"
                                 y3="0.620889"
                                 z3="-1.254141"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.381609"
                                 y3="-2.432812"
                                 z3="-0.952615"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.949882"
                                 y3="0.47831"
                                 z3="-1.874807"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.685118"
                                 y3="-1.43298"
                                 z3="-1.980024"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.304278"
                                 y3="-0.019971"
                                 z3="2.643805"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.10355"
                                 y3="-2.288847"
                                 z3="-1.829949"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.376564"
                                 y3="-0.23852"
                                 z3="1.567754"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.497073"
                                 y3="-0.275091"
                                 z3="-0.140772"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.586885"
                                 y3="1.142115"
                                 z3="-0.589865"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.050696"
                                 y3="1.802917"
                                 z3="1.310164"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.380121"
                                 y3="0.592864"
                                 z3="0.503092"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-1.981369"
                                 y3="-4.021661"
                                 z3="-1.332059"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.23273"
                                 y3="0.824781"
                                 z3="-0.772379"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.487936"
                                 y3="1.378354"
                                 z3="1.337342"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.782826"
                                 y3="2.843387"
                                 z3="-1.892998"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.321315"
                                 y3="3.654425"
                                 z3="-3.511966"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.68702"
                                 y3="1.938063"
                                 z3="-1.761179"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.362323"
                                 y3="-1.584982"
                                 z3="3.567337"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.9908"
                                 y3="0.866956"
                                 z3="4.099593"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.861299"
                                 y3="-2.729163"
                                 z3="0.87522"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="3.990079"
                                 y3="3.15033"
                                 z3="-0.230039"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.129703"
                                 y3="-4.035058"
                                 z3="3.2920"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.968571"
                                 y3="-0.518661"
                                 z3="2.731443"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.524205"
                                 y3="2.420236"
                                 z3="0.709572"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.1773,-2.432,2.6203;1.5655,-1.8007,3.0419;.0626,2.2694,-2.5316;.3398,.9766,-3.6531;-3.6135,.7306,-3.4536;2.7863,1.9329,-.4824;3.5983,.6209,-1.2541;-1.3816,-2.4328,-.9526;-2.9499,.4783,-1.8748;-2.6851,-1.433,-1.98;2.3043,-.02,2.6438;.1036,-2.2888,-1.8299;.3766,-.2385,1.5678;-1.4971,-.2751,-.1408;.5869,1.1421,-.5899;-1.0507,1.8029,1.3102;-.3801,.5929,.5031;-1.9814,-4.0217,-1.3321;-4.2327,.8248,-.7724;2.4879,1.3784,1.3373;1.7828,2.8434,-1.893;-.3213,3.6544,-3.512;-1.687,1.9381,-1.7612;-1.3623,-1.585,3.5673;1.9908,.867,4.0996;-.8613,-2.7292,.8752;3.9901,3.1503,-.23;-.1297,-4.0351,3.292;3.9686,-.5187,2.7314;-1.5242,2.4202,.7096;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22150321</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00111177</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">0.00032717</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">0.00111177</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00032717</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05691462</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">0.01415698</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.160582"
                                 y3="-2.433919"
                                 z3="2.610375"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.579028"
                                 y3="-1.795025"
                                 z3="3.036569"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.062806"
                                 y3="2.272265"
                                 z3="-2.521745"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.331896"
                                 y3="0.980283"
                                 z3="-3.646066"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.610269"
                                 y3="0.742307"
                                 z3="-3.451733"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.796517"
                                 y3="1.924531"
                                 z3="-0.487502"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.58649"
                                 y3="0.600114"
                                 z3="-1.260765"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.387317"
                                 y3="-2.433444"
                                 z3="-0.957397"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.949263"
                                 y3="0.483061"
                                 z3="-1.872951"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.685592"
                                 y3="-1.427361"
                                 z3="-1.988103"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.303028"
                                 y3="-0.007042"
                                 z3="2.654143"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.088346"
                                 y3="-2.321006"
                                 z3="-1.855242"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.374758"
                                 y3="-0.232427"
                                 z3="1.570603"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.491467"
                                 y3="-0.281071"
                                 z3="-0.149775"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.586031"
                                 y3="1.148973"
                                 z3="-0.584793"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.066913"
                                 y3="1.797496"
                                 z3="1.305958"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.382632"
                                 y3="0.592463"
                                 z3="0.503247"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.015993"
                                 y3="-4.017102"
                                 z3="-1.310821"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.232801"
                                 y3="0.825544"
                                 z3="-0.7698"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.500499"
                                 y3="1.375312"
                                 z3="1.334018"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.789951"
                                 y3="2.840347"
                                 z3="-1.891456"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.320658"
                                 y3="3.660104"
                                 z3="-3.498547"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.687613"
                                 y3="1.943428"
                                 z3="-1.749209"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.352249"
                                 y3="-1.601099"
                                 z3="3.561693"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.945413"
                                 y3="0.886795"
                                 z3="4.09534"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.84123"
                                 y3="-2.725986"
                                 z3="0.864237"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="4.01793"
                                 y3="3.126477"
                                 z3="-0.247687"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.101974"
                                 y3="-4.040213"
                                 z3="3.273857"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.970994"
                                 y3="-0.483791"
                                 z3="2.788358"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.538334"
                                 y3="2.412686"
                                 z3="0.701293"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.1606,-2.4339,2.6104;1.579,-1.795,3.0366;.0628,2.2723,-2.5217;.3319,.9803,-3.6461;-3.6103,.7423,-3.4517;2.7965,1.9245,-.4875;3.5865,.6001,-1.2608;-1.3873,-2.4334,-.9574;-2.9493,.4831,-1.873;-2.6856,-1.4274,-1.9881;2.303,-.007,2.6541;.0883,-2.321,-1.8552;.3748,-.2324,1.5706;-1.4915,-.2811,-.1498;.586,1.149,-.5848;-1.0669,1.7975,1.306;-.3826,.5925,.5032;-2.016,-4.0171,-1.3108;-4.2328,.8255,-.7698;2.5005,1.3753,1.334;1.79,2.8403,-1.8915;-.3207,3.6601,-3.4985;-1.6876,1.9434,-1.7492;-1.3522,-1.6011,3.5617;1.9454,.8868,4.0953;-.8412,-2.726,.8642;4.0179,3.1265,-.2477;-.102,-4.0402,3.2739;3.971,-.4838,2.7884;-1.5383,2.4127,.7013;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22140506</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00167406</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">0.00042951</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">0.00167406</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00042951</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05788111</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">0.01395254</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.144451"
                                 y3="-2.438104"
                                 z3="2.600792"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.59242"
                                 y3="-1.789992"
                                 z3="3.031284"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.063868"
                                 y3="2.274407"
                                 z3="-2.514011"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.323984"
                                 y3="0.984407"
                                 z3="-3.642727"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.609947"
                                 y3="0.754367"
                                 z3="-3.447606"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.805608"
                                 y3="1.91759"
                                 z3="-0.491586"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.575712"
                                 y3="0.583325"
                                 z3="-1.267907"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.394374"
                                 y3="-2.435008"
                                 z3="-0.960985"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.948525"
                                 y3="0.4874"
                                 z3="-1.870248"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.688955"
                                 y3="-1.422861"
                                 z3="-1.991623"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.300419"
                                 y3="0.005637"
                                 z3="2.664971"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.070929"
                                 y3="-2.351259"
                                 z3="-1.878809"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.371914"
                                 y3="-0.227095"
                                 z3="1.574446"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.48565"
                                 y3="-0.287109"
                                 z3="-0.157373"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.586475"
                                 y3="1.152543"
                                 z3="-0.581756"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.080112"
                                 y3="1.793944"
                                 z3="1.299007"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.384084"
                                 y3="0.591754"
                                 z3="0.502814"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.049877"
                                 y3="-4.012816"
                                 z3="-1.291142"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.230586"
                                 y3="0.827849"
                                 z3="-0.764706"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.511861"
                                 y3="1.371577"
                                 z3="1.330971"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.796969"
                                 y3="2.836808"
                                 z3="-1.8906"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.31861"
                                 y3="3.666295"
                                 z3="-3.48553"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.686778"
                                 y3="1.9474"
                                 z3="-1.739651"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.34288"
                                 y3="-1.621102"
                                 z3="3.557231"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.897754"
                                 y3="0.906668"
                                 z3="4.089482"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.821373"
                                 y3="-2.724686"
                                 z3="0.853816"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="4.042809"
                                 y3="3.1051"
                                 z3="-0.261367"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.073323"
                                 y3="-4.048019"
                                 z3="3.254226"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.971204"
                                 y3="-0.445744"
                                 z3="2.846239"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.543602"
                                 y3="2.409424"
                                 z3="0.688449"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.1445,-2.4381,2.6008;1.5924,-1.79,3.0313;.0639,2.2744,-2.514;.324,.9844,-3.6427;-3.6099,.7544,-3.4476;2.8056,1.9176,-.4916;3.5757,.5833,-1.2679;-1.3944,-2.435,-.961;-2.9485,.4874,-1.8702;-2.689,-1.4229,-1.9916;2.3004,.0056,2.665;.0709,-2.3513,-1.8788;.3719,-.2271,1.5744;-1.4856,-.2871,-.1574;.5865,1.1525,-.5818;-1.0801,1.7939,1.299;-.3841,.5918,.5028;-2.0499,-4.0128,-1.2911;-4.2306,.8278,-.7647;2.5119,1.3716,1.331;1.797,2.8368,-1.8906;-.3186,3.6663,-3.4855;-1.6868,1.9474,-1.7397;-1.3429,-1.6211,3.5572;1.8978,.9067,4.0895;-.8214,-2.7247,.8538;4.0428,3.1051,-.2614;-.0733,-4.048,3.2542;3.9712,-.4457,2.8462;-1.5436,2.4094,.6884;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22135717</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00160886</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">0.00043244</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">0.00160886</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00043244</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.05253682</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">0.01435997</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.127261"
                                 y3="-2.44164"
                                 z3="2.590625"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.606238"
                                 y3="-1.783402"
                                 z3="3.027057"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.065517"
                                 y3="2.277303"
                                 z3="-2.505868"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.317705"
                                 y3="0.98838"
                                 z3="-3.637643"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.604874"
                                 y3="0.766579"
                                 z3="-3.447295"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.814286"
                                 y3="1.915335"
                                 z3="-0.493238"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.563681"
                                 y3="0.571073"
                                 z3="-1.272465"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.405261"
                                 y3="-2.438968"
                                 z3="-0.963349"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.946177"
                                 y3="0.491535"
                                 z3="-1.870159"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.693055"
                                 y3="-1.419097"
                                 z3="-1.995845"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.298937"
                                 y3="0.018387"
                                 z3="2.674788"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.04833"
                                 y3="-2.392759"
                                 z3="-1.902394"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.370107"
                                 y3="-0.22389"
                                 z3="1.57641"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.478279"
                                 y3="-0.294222"
                                 z3="-0.168046"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.586918"
                                 y3="1.158162"
                                 z3="-0.578047"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.094624"
                                 y3="1.786794"
                                 z3="1.292964"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.385085"
                                 y3="0.589979"
                                 z3="0.501425"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.094031"
                                 y3="-4.008496"
                                 z3="-1.263912"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.228514"
                                 y3="0.830664"
                                 z3="-0.76455"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.521935"
                                 y3="1.371461"
                                 z3="1.32997"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.80356"
                                 y3="2.836262"
                                 z3="-1.888131"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.316069"
                                 y3="3.672183"
                                 z3="-3.473556"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.685365"
                                 y3="1.951886"
                                 z3="-1.730567"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.332066"
                                 y3="-1.642909"
                                 z3="3.554342"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.854963"
                                 y3="0.924571"
                                 z3="4.083561"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.804293"
                                 y3="-2.722482"
                                 z3="0.844339"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="4.067751"
                                 y3="3.087429"
                                 z3="-0.272042"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.041389"
                                 y3="-4.05583"
                                 z3="3.23164"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.971299"
                                 y3="-0.407822"
                                 z3="2.898776"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.546085"
                                 y3="2.406234"
                                 z3="0.677311"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.1273,-2.4416,2.5906;1.6062,-1.7834,3.0271;.0655,2.2773,-2.5059;.3177,.9884,-3.6376;-3.6049,.7666,-3.4473;2.8143,1.9153,-.4932;3.5637,.5711,-1.2725;-1.4053,-2.439,-.9633;-2.9462,.4915,-1.8702;-2.6931,-1.4191,-1.9958;2.2989,.0184,2.6748;.0483,-2.3928,-1.9024;.3701,-.2239,1.5764;-1.4783,-.2942,-.168;.5869,1.1582,-.578;-1.0946,1.7868,1.293;-.3851,.59,.5014;-2.094,-4.0085,-1.2639;-4.2285,.8307,-.7645;2.5219,1.3715,1.33;1.8036,2.8363,-1.8881;-.3161,3.6722,-3.4736;-1.6854,1.9519,-1.7306;-1.3321,-1.6429,3.5543;1.855,.9246,4.0836;-.8043,-2.7225,.8443;4.0678,3.0874,-.272;-.0414,-4.0558,3.2316;3.9713,-.4078,2.8988;-1.5461,2.4062,.6773;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22130562</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00200275</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">0.00050647</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">0.00200275</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00050647</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01591992</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">0.00407595</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.127776"
                                 y3="-2.441215"
                                 z3="2.590326"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.606245"
                                 y3="-1.783333"
                                 z3="3.025821"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.066959"
                                 y3="2.274528"
                                 z3="-2.509269"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.322201"
                                 y3="0.982112"
                                 z3="-3.636358"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.606376"
                                 y3="0.767345"
                                 z3="-3.450221"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.810573"
                                 y3="1.921217"
                                 z3="-0.48852"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.56359"
                                 y3="0.576983"
                                 z3="-1.264257"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.408543"
                                 y3="-2.439678"
                                 z3="-0.962339"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.946722"
                                 y3="0.491894"
                                 z3="-1.873599"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.693745"
                                 y3="-1.41873"
                                 z3="-1.996641"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.300437"
                                 y3="0.017861"
                                 z3="2.673729"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.046452"
                                 y3="-2.39587"
                                 z3="-1.899277"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.371368"
                                 y3="-0.226931"
                                 z3="1.574652"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.478599"
                                 y3="-0.292975"
                                 z3="-0.168402"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.586353"
                                 y3="1.15921"
                                 z3="-0.577561"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.093098"
                                 y3="1.784407"
                                 z3="1.296731"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.384599"
                                 y3="0.5894"
                                 z3="0.501459"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.09889"
                                 y3="-4.00835"
                                 z3="-1.263378"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.228209"
                                 y3="0.83161"
                                 z3="-0.767309"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.514859"
                                 y3="1.379831"
                                 z3="1.335281"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.802345"
                                 y3="2.837392"
                                 z3="-1.888095"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.312886"
                                 y3="3.665583"
                                 z3="-3.482965"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.684814"
                                 y3="1.951143"
                                 z3="-1.736599"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.330649"
                                 y3="-1.642602"
                                 z3="3.556539"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.867502"
                                 y3="0.918144"
                                 z3="4.089854"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.809554"
                                 y3="-2.722944"
                                 z3="0.846076"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="4.061984"
                                 y3="3.095374"
                                 z3="-0.265377"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.041128"
                                 y3="-4.05594"
                                 z3="3.229865"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.973672"
                                 y3="-0.411761"
                                 z3="2.882856"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.54015"
                                 y3="2.408994"
                                 z3="0.683077"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.1278,-2.4412,2.5903;1.6062,-1.7833,3.0258;.067,2.2745,-2.5093;.3222,.9821,-3.6364;-3.6064,.7673,-3.4502;2.8106,1.9212,-.4885;3.5636,.577,-1.2643;-1.4085,-2.4397,-.9623;-2.9467,.4919,-1.8736;-2.6937,-1.4187,-1.9966;2.3004,.0179,2.6737;.0465,-2.3959,-1.8993;.3714,-.2269,1.5747;-1.4786,-.293,-.1684;.5864,1.1592,-.5776;-1.0931,1.7844,1.2967;-.3846,.5894,.5015;-2.0989,-4.0084,-1.2634;-4.2282,.8316,-.7673;2.5149,1.3798,1.3353;1.8023,2.8374,-1.8881;-.3129,3.6656,-3.483;-1.6848,1.9511,-1.7366;-1.3306,-1.6426,3.5565;1.8675,.9181,4.0899;-.8096,-2.7229,.8461;4.062,3.0954,-.2654;-.0411,-4.0559,3.2299;3.9737,-.4118,2.8829;-1.5401,2.409,.6831;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22133274</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00153674</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">0.00040193</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">0.00153674</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00040193</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03821050</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">0.00904730</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.135319"
                                 y3="-2.440926"
                                 z3="2.594728"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.599618"
                                 y3="-1.784521"
                                 z3="3.029076"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.069551"
                                 y3="2.271669"
                                 z3="-2.517725"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.332941"
                                 y3="0.977761"
                                 z3="-3.641303"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.608648"
                                 y3="0.762177"
                                 z3="-3.453655"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.802849"
                                 y3="1.931745"
                                 z3="-0.481711"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.572363"
                                 y3="0.595425"
                                 z3="-1.255129"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.412951"
                                 y3="-2.442478"
                                 z3="-0.958223"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.946924"
                                 y3="0.489653"
                                 z3="-1.87742"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.697751"
                                 y3="-1.421859"
                                 z3="-1.991238"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.302598"
                                 y3="0.012627"
                                 z3="2.669239"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.046797"
                                 y3="-2.388519"
                                 z3="-1.886998"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.373307"
                                 y3="-0.233429"
                                 z3="1.571833"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.480477"
                                 y3="-0.290195"
                                 z3="-0.164975"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.587998"
                                 y3="1.154418"
                                 z3="-0.580467"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.082499"
                                 y3="1.784904"
                                 z3="1.299722"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.381481"
                                 y3="0.587597"
                                 z3="0.500338"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.095747"
                                 y3="-4.012114"
                                 z3="-1.270923"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.226743"
                                 y3="0.833373"
                                 z3="-0.770628"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.502482"
                                 y3="1.388878"
                                 z3="1.341355"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.797905"
                                 y3="2.841597"
                                 z3="-1.887717"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.310215"
                                 y3="3.659822"
                                 z3="-3.495544"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.682072"
                                 y3="1.947257"
                                 z3="-1.748743"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.334059"
                                 y3="-1.637981"
                                 z3="3.562409"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.898524"
                                 y3="0.906317"
                                 z3="4.098145"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.823568"
                                 y3="-2.726494"
                                 z3="0.85284"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="4.041868"
                                 y3="3.117508"
                                 z3="-0.249152"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.051357"
                                 y3="-4.055505"
                                 z3="3.234883"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.976041"
                                 y3="-0.430074"
                                 z3="2.844645"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.52623"
                                 y3="2.414065"
                                 z3="0.68844"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.1353,-2.4409,2.5947;1.5996,-1.7845,3.0291;.0696,2.2717,-2.5177;.3329,.9778,-3.6413;-3.6086,.7622,-3.4537;2.8028,1.9317,-.4817;3.5724,.5954,-1.2551;-1.413,-2.4425,-.9582;-2.9469,.4897,-1.8774;-2.6978,-1.4219,-1.9912;2.3026,.0126,2.6692;.0468,-2.3885,-1.887;.3733,-.2334,1.5718;-1.4805,-.2902,-.165;.588,1.1544,-.5805;-1.0825,1.7849,1.2997;-.3815,.5876,.5003;-2.0957,-4.0121,-1.2709;-4.2267,.8334,-.7706;2.5025,1.3889,1.3414;1.7979,2.8416,-1.8877;-.3102,3.6598,-3.4955;-1.6821,1.9473,-1.7487;-1.3341,-1.638,3.5624;1.8985,.9063,4.0981;-.8236,-2.7265,.8528;4.0419,3.1175,-.2492;-.0514,-4.0555,3.2349;3.976,-.4301,2.8446;-1.5262,2.4141,.6884;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22141178</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00070543</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">0.00025452</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">0.00070543</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00025452</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01181896</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">0.00403966</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.134721"
                                 y3="-2.442268"
                                 z3="2.594687"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.600912"
                                 y3="-1.785666"
                                 z3="3.02755"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.071773"
                                 y3="2.271881"
                                 z3="-2.52042"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.340755"
                                 y3="0.977645"
                                 z3="-3.642353"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.605442"
                                 y3="0.760546"
                                 z3="-3.455579"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.800898"
                                 y3="1.937877"
                                 z3="-0.477976"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.578332"
                                 y3="0.606636"
                                 z3="-1.252237"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.42034"
                                 y3="-2.446183"
                                 z3="-0.955974"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.946121"
                                 y3="0.489227"
                                 z3="-1.878207"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.704413"
                                 y3="-1.423557"
                                 z3="-1.987256"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.304147"
                                 y3="0.011558"
                                 z3="2.668643"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.036694"
                                 y3="-2.397411"
                                 z3="-1.889386"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.373419"
                                 y3="-0.235189"
                                 z3="1.571357"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.479102"
                                 y3="-0.290627"
                                 z3="-0.166611"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.590795"
                                 y3="1.151262"
                                 z3="-0.581877"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.080202"
                                 y3="1.785462"
                                 z3="1.297334"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.379784"
                                 y3="0.586507"
                                 z3="0.499091"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.107566"
                                 y3="-4.014832"
                                 z3="-1.263631"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.226052"
                                 y3="0.8378"
                                 z3="-0.773165"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.49928"
                                 y3="1.391094"
                                 z3="1.343683"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.796063"
                                 y3="2.846521"
                                 z3="-1.884775"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.308007"
                                 y3="3.658258"
                                 z3="-3.500606"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.679012"
                                 y3="1.945997"
                                 z3="-1.752126"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.332065"
                                 y3="-1.640002"
                                 z3="3.564632"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.904039"
                                 y3="0.902335"
                                 z3="4.100429"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.825976"
                                 y3="-2.727671"
                                 z3="0.853827"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="4.033852"
                                 y3="3.128856"
                                 z3="-0.24023"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.049161"
                                 y3="-4.05703"
                                 z3="3.234156"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.978094"
                                 y3="-0.431456"
                                 z3="2.83775"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.522289"
                                 y3="2.41513"
                                 z3="0.685372"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.1347,-2.4423,2.5947;1.6009,-1.7857,3.0276;.0718,2.2719,-2.5204;.3408,.9776,-3.6424;-3.6054,.7605,-3.4556;2.8009,1.9379,-.478;3.5783,.6066,-1.2522;-1.4203,-2.4462,-.956;-2.9461,.4892,-1.8782;-2.7044,-1.4236,-1.9873;2.3041,.0116,2.6686;.0367,-2.3974,-1.8894;.3734,-.2352,1.5714;-1.4791,-.2906,-.1666;.5908,1.1513,-.5819;-1.0802,1.7855,1.2973;-.3798,.5865,.4991;-2.1076,-4.0148,-1.2636;-4.2261,.8378,-.7732;2.4993,1.3911,1.3437;1.7961,2.8465,-1.8848;-.308,3.6583,-3.5006;-1.679,1.946,-1.7521;-1.3321,-1.64,3.5646;1.904,.9023,4.1004;-.826,-2.7277,.8538;4.0339,3.1289,-.2402;-.0492,-4.057,3.2342;3.9781,-.4315,2.8378;-1.5223,2.4151,.6854;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">-9.22142998</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00067565</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">0.00023080</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">0.00067565</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00023080</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02688286</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">0.00685304</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.126561"
                                 y3="-2.445269"
                                 z3="2.590019"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.607459"
                                 y3="-1.783744"
                                 z3="3.025502"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.075143"
                                 y3="2.272837"
                                 z3="-2.520802"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.348502"
                                 y3="0.97904"
                                 z3="-3.642352"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.603907"
                                 y3="0.763384"
                                 z3="-3.455587"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.80239"
                                 y3="1.940952"
                                 z3="-0.475227"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.581153"
                                 y3="0.610721"
                                 z3="-1.249949"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.431491"
                                 y3="-2.450068"
                                 z3="-0.955155"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.946058"
                                 y3="0.490743"
                                 z3="-1.877912"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.713543"
                                 y3="-1.422831"
                                 z3="-1.985149"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.304591"
                                 y3="0.016139"
                                 z3="2.672899"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="0.017133"
                                 y3="-2.418783"
                                 z3="-1.902413"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.371891"
                                 y3="-0.234963"
                                 z3="1.572531"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.476047"
                                 y3="-0.293503"
                                 z3="-0.17102"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.594309"
                                 y3="1.148166"
                                 z3="-0.582348"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.081881"
                                 y3="1.784997"
                                 z3="1.29136"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.378644"
                                 y3="0.584671"
                                 z3="0.497292"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.134449"
                                 y3="-4.0148"
                                 z3="-1.246421"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.224526"
                                 y3="0.844634"
                                 z3="-0.772902"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.499227"
                                 y3="1.392482"
                                 z3="1.345606"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.796745"
                                 y3="2.850438"
                                 z3="-1.880569"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.304357"
                                 y3="3.658674"
                                 z3="-3.501715"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.6749"
                                 y3="1.945377"
                                 z3="-1.752759"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.326009"
                                 y3="-1.652533"
                                 z3="3.56501"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.891097"
                                 y3="0.906635"
                                 z3="4.100961"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.820069"
                                 y3="-2.727807"
                                 z3="0.849587"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="4.0349"
                                 y3="3.131943"
                                 z3="-0.236559"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-0.032077"
                                 y3="-4.0617"
                                 z3="3.223917"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.979885"
                                 y3="-0.417113"
                                 z3="2.85364"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.521107"
                                 y3="2.413982"
                                 z3="0.676616"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.1266,-2.4453,2.59;1.6075,-1.7837,3.0255;.0751,2.2728,-2.5208;.3485,.979,-3.6424;-3.6039,.7634,-3.4556;2.8024,1.941,-.4752;3.5812,.6107,-1.2499;-1.4315,-2.4501,-.9552;-2.9461,.4907,-1.8779;-2.7135,-1.4228,-1.9851;2.3046,.0161,2.6729;.0171,-2.4188,-1.9024;.3719,-.235,1.5725;-1.476,-.2935,-.171;.5943,1.1482,-.5823;-1.0819,1.785,1.2914;-.3786,.5847,.4973;-2.1344,-4.0148,-1.2464;-4.2245,.8446,-.7729;2.4992,1.3925,1.3456;1.7967,2.8504,-1.8806;-.3044,3.6587,-3.5017;-1.6749,1.9454,-1.7528;-1.326,-1.6525,3.565;1.8911,.9066,4.101;-.8201,-2.7278,.8496;4.0349,3.1319,-.2366;-.0321,-4.0617,3.2239;3.9799,-.4171,2.8536;-1.5211,2.414,.6766;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">37</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">37</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.22143896</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00074860</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">0.00021339</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">0.00074860</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00021339</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04943120</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">0.01363632</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.108799"
                                 y3="-2.450848"
                                 z3="2.579715"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.621252"
                                 y3="-1.778776"
                                 z3="3.022081"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.080053"
                                 y3="2.274081"
                                 z3="-2.518149"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.355537"
                                 y3="0.983288"
                                 z3="-3.642737"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.608099"
                                 y3="0.772385"
                                 z3="-3.45137"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.808773"
                                 y3="1.937233"
                                 z3="-0.475096"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.581524"
                                 y3="0.604427"
                                 z3="-1.251548"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.445887"
                                 y3="-2.452736"
                                 z3="-0.955718"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.947711"
                                 y3="0.49482"
                                 z3="-1.87566"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.725656"
                                 y3="-1.418767"
                                 z3="-1.984423"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.303034"
                                 y3="0.027814"
                                 z3="2.684158"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.013065"
                                 y3="-2.451338"
                                 z3="-1.927322"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.367822"
                                 y3="-0.231634"
                                 z3="1.5766"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.471669"
                                 y3="-0.299026"
                                 z3="-0.177699"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.598648"
                                 y3="1.142994"
                                 z3="-0.582848"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.087813"
                                 y3="1.784986"
                                 z3="1.279389"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.378188"
                                 y3="0.581999"
                                 z3="0.494979"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.176329"
                                 y3="-4.009781"
                                 z3="-1.218843"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.221043"
                                 y3="0.85417"
                                 z3="-0.766387"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.504509"
                                 y3="1.38971"
                                 z3="1.345431"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.801007"
                                 y3="2.85156"
                                 z3="-1.874857"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.298575"
                                 y3="3.662483"
                                 z3="-3.49574"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.669907"
                                 y3="1.944971"
                                 z3="-1.750733"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.314647"
                                 y3="-1.678107"
                                 z3="3.562556"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.851099"
                                 y3="0.92243"
                                 z3="4.097811"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.802016"
                                 y3="-2.7268"
                                 z3="0.838513"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="4.046354"
                                 y3="3.123242"
                                 z3="-0.239131"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.002886"
                                 y3="-4.070724"
                                 z3="3.201814"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.980071"
                                 y3="-0.380975"
                                 z3="2.903071"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.524369"
                                 y3="2.409617"
                                 z3="0.658241"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.1088,-2.4508,2.5797;1.6213,-1.7788,3.0221;.0801,2.2741,-2.5181;.3555,.9833,-3.6427;-3.6081,.7724,-3.4514;2.8088,1.9372,-.4751;3.5815,.6044,-1.2515;-1.4459,-2.4527,-.9557;-2.9477,.4948,-1.8757;-2.7257,-1.4188,-1.9844;2.303,.0278,2.6842;-.0131,-2.4513,-1.9273;.3678,-.2316,1.5766;-1.4717,-.299,-.1777;.5986,1.143,-.5828;-1.0878,1.785,1.2794;-.3782,.582,.495;-2.1763,-4.0098,-1.2188;-4.221,.8542,-.7664;2.5045,1.3897,1.3454;1.801,2.8516,-1.8749;-.2986,3.6625,-3.4957;-1.6699,1.945,-1.7507;-1.3146,-1.6781,3.5626;1.8511,.9224,4.0978;-.802,-2.7268,.8385;4.0464,3.1232,-.2391;.0029,-4.0707,3.2018;3.9801,-.381,2.9031;-1.5244,2.4096,.6582;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">38</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">38</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.22143301</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00097873</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">0.00028015</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">0.00097873</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00028015</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02942937</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">0.00865615</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.097517"
                                 y3="-2.454703"
                                 z3="2.57296"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.628612"
                                 y3="-1.774565"
                                 z3="3.022815"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.084619"
                                 y3="2.272262"
                                 z3="-2.519627"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.365117"
                                 y3="0.984557"
                                 z3="-3.646551"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.619952"
                                 y3="0.778261"
                                 z3="-3.446778"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.811149"
                                 y3="1.934039"
                                 z3="-0.473966"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.585572"
                                 y3="0.601969"
                                 z3="-1.250081"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.455224"
                                 y3="-2.452392"
                                 z3="-0.955421"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.951737"
                                 y3="0.497524"
                                 z3="-1.874963"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.735143"
                                 y3="-1.415099"
                                 z3="-1.98341"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.301612"
                                 y3="0.035458"
                                 z3="2.692715"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.032521"
                                 y3="-2.466001"
                                 z3="-1.941692"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.364512"
                                 y3="-0.230746"
                                 z3="1.579827"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.471475"
                                 y3="-0.301451"
                                 z3="-0.179387"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.60227"
                                 y3="1.134261"
                                 z3="-0.585713"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.085626"
                                 y3="1.786787"
                                 z3="1.271097"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.377058"
                                 y3="0.579019"
                                 z3="0.49298"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.200608"
                                 y3="-4.004707"
                                 z3="-1.203758"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.217036"
                                 y3="0.862538"
                                 z3="-0.758184"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.504029"
                                 y3="1.388086"
                                 z3="1.346376"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.802893"
                                 y3="2.851111"
                                 z3="-1.871125"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.293826"
                                 y3="3.662732"
                                 z3="-3.494436"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.665853"
                                 y3="1.941117"
                                 z3="-1.755075"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.308558"
                                 y3="-1.697498"
                                 z3="3.561248"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.828262"
                                 y3="0.932638"
                                 z3="4.097729"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.790069"
                                 y3="-2.726642"
                                 z3="0.830749"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="4.047355"
                                 y3="3.121247"
                                 z3="-0.237028"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.027002"
                                 y3="-4.077142"
                                 z3="3.185678"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.979354"
                                 y3="-0.358561"
                                 z3="2.932501"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.521354"
                                 y3="2.408603"
                                 z3="0.64662"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.0975,-2.4547,2.573;1.6286,-1.7746,3.0228;.0846,2.2723,-2.5196;.3651,.9846,-3.6466;-3.62,.7783,-3.4468;2.8111,1.934,-.474;3.5856,.602,-1.2501;-1.4552,-2.4524,-.9554;-2.9517,.4975,-1.875;-2.7351,-1.4151,-1.9834;2.3016,.0355,2.6927;-.0325,-2.466,-1.9417;.3645,-.2307,1.5798;-1.4715,-.3015,-.1794;.6023,1.1343,-.5857;-1.0856,1.7868,1.2711;-.3771,.579,.493;-2.2006,-4.0047,-1.2038;-4.217,.8625,-.7582;2.504,1.3881,1.3464;1.8029,2.8511,-1.8711;-.2938,3.6627,-3.4944;-1.6659,1.9411,-1.7551;-1.3086,-1.6975,3.5612;1.8283,.9326,4.0977;-.7901,-2.7266,.8307;4.0474,3.1212,-.237;.027,-4.0771,3.1857;3.9794,-.3586,2.9325;-1.5214,2.4086,.6466;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">39</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">39</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.22142139</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00115191</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">0.00035709</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">0.00115191</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00035709</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.01249256</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">0.00422807</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">T</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.092598"
                                 y3="-2.453633"
                                 z3="2.569965"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.629366"
                                 y3="-1.769223"
                                 z3="3.029142"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.087438"
                                 y3="2.269125"
                                 z3="-2.521886"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.373554"
                                 y3="0.982136"
                                 z3="-3.64801"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.632445"
                                 y3="0.782823"
                                 z3="-3.446896"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.810339"
                                 y3="1.93306"
                                 z3="-0.47163"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.587812"
                                 y3="0.600772"
                                 z3="-1.244187"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.458548"
                                 y3="-2.449468"
                                 z3="-0.95493"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.955735"
                                 y3="0.499142"
                                 z3="-1.879242"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.736244"
                                 y3="-1.411311"
                                 z3="-1.987947"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.302171"
                                 y3="0.039543"
                                 z3="2.697278"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.038405"
                                 y3="-2.471655"
                                 z3="-1.944735"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.364264"
                                 y3="-0.233431"
                                 z3="1.58051"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.473788"
                                 y3="-0.301821"
                                 z3="-0.179205"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.602444"
                                 y3="1.128975"
                                 z3="-0.58761"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.082627"
                                 y3="1.78525"
                                 z3="1.270593"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.376648"
                                 y3="0.576076"
                                 z3="0.492216"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.212528"
                                 y3="-3.998719"
                                 z3="-1.196906"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.21431"
                                 y3="0.865688"
                                 z3="-0.755071"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.498165"
                                 y3="1.391437"
                                 z3="1.34934"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.802785"
                                 y3="2.850571"
                                 z3="-1.868608"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.290465"
                                 y3="3.659356"
                                 z3="-3.497454"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.664701"
                                 y3="1.936872"
                                 z3="-1.762709"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.307366"
                                 y3="-1.706615"
                                 z3="3.56138"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.831088"
                                 y3="0.937042"
                                 z3="4.102955"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.786099"
                                 y3="-2.724693"
                                 z3="0.827685"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="4.044412"
                                 y3="3.12225"
                                 z3="-0.233422"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.038849"
                                 y3="-4.078518"
                                 z3="3.174789"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.980398"
                                 y3="-0.354017"
                                 z3="2.933397"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.521777"
                                 y3="2.405684"
                                 z3="0.647299"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.0926,-2.4536,2.57;1.6294,-1.7692,3.0291;.0874,2.2691,-2.5219;.3736,.9821,-3.648;-3.6324,.7828,-3.4469;2.8103,1.9331,-.4716;3.5878,.6008,-1.2442;-1.4585,-2.4495,-.9549;-2.9557,.4991,-1.8792;-2.7362,-1.4113,-1.9879;2.3022,.0395,2.6973;-.0384,-2.4717,-1.9447;.3643,-.2334,1.5805;-1.4738,-.3018,-.1792;.6024,1.129,-.5876;-1.0826,1.7853,1.2706;-.3766,.5761,.4922;-2.2125,-3.9987,-1.1969;-4.2143,.8657,-.7551;2.4982,1.3914,1.3493;1.8028,2.8506,-1.8686;-.2905,3.6594,-3.4975;-1.6647,1.9369,-1.7627;-1.3074,-1.7066,3.5614;1.8311,.937,4.103;-.7861,-2.7247,.8277;4.0444,3.1223,-.2334;.0388,-4.0785,3.1748;3.9804,-.354,2.9334;-1.5218,2.4057,.6473;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">40</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">40</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.22145748</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00110006</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">0.00033295</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">0.00110006</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00033295</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.04216485</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">0.01391778</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.072959"
                                 y3="-2.4530"
                                 z3="2.557515"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.639929"
                                 y3="-1.755348"
                                 z3="3.036578"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.091763"
                                 y3="2.263338"
                                 z3="-2.51948"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.377639"
                                 y3="0.978472"
                                 z3="-3.647605"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.65975"
                                 y3="0.802115"
                                 z3="-3.442271"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.815694"
                                 y3="1.920597"
                                 z3="-0.472517"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.578009"
                                 y3="0.576383"
                                 z3="-1.239195"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.462216"
                                 y3="-2.440365"
                                 z3="-0.958366"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.963801"
                                 y3="0.505621"
                                 z3="-1.8854"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.733276"
                                 y3="-1.399667"
                                 z3="-2.004171"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.299287"
                                 y3="0.056502"
                                 z3="2.713057"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.052788"
                                 y3="-2.491965"
                                 z3="-1.962026"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.361189"
                                 y3="-0.233857"
                                 z3="1.584851"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.476117"
                                 y3="-0.305861"
                                 z3="-0.180548"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.599614"
                                 y3="1.123792"
                                 z3="-0.587319"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.088313"
                                 y3="1.780179"
                                 z3="1.269557"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.379374"
                                 y3="0.571537"
                                 z3="0.49322"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.242494"
                                 y3="-3.980264"
                                 z3="-1.176685"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.208355"
                                 y3="0.867059"
                                 z3="-0.743371"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.495287"
                                 y3="1.394025"
                                 z3="1.351416"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.809569"
                                 y3="2.841744"
                                 z3="-1.866347"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.282447"
                                 y3="3.656116"
                                 z3="-3.492889"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.664795"
                                 y3="1.933046"
                                 z3="-1.769407"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.299159"
                                 y3="-1.735013"
                                 z3="3.556328"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.800345"
                                 y3="0.958884"
                                 z3="4.105997"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.763754"
                                 y3="-2.718123"
                                 z3="0.814022"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="4.062286"
                                 y3="3.098211"
                                 z3="-0.242358"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.078628"
                                 y3="-4.083865"
                                 z3="3.141706"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.978092"
                                 y3="-0.317082"
                                 z3="2.975562"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.528931"
                                 y3="2.399488"
                                 z3="0.646244"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.073,-2.453,2.5575;1.6399,-1.7553,3.0366;.0918,2.2633,-2.5195;.3776,.9785,-3.6476;-3.6597,.8021,-3.4423;2.8157,1.9206,-.4725;3.578,.5764,-1.2392;-1.4622,-2.4404,-.9584;-2.9638,.5056,-1.8854;-2.7333,-1.3997,-2.0042;2.2993,.0565,2.7131;-.0528,-2.492,-1.962;.3612,-.2339,1.5849;-1.4761,-.3059,-.1805;.5996,1.1238,-.5873;-1.0883,1.7802,1.2696;-.3794,.5715,.4932;-2.2425,-3.9803,-1.1767;-4.2084,.8671,-.7434;2.4953,1.394,1.3514;1.8096,2.8417,-1.8663;-.2824,3.6561,-3.4929;-1.6648,1.933,-1.7694;-1.2992,-1.735,3.5563;1.8003,.9589,4.106;-.7638,-2.7181,.814;4.0623,3.0982,-.2424;.0786,-4.0839,3.1417;3.9781,-.3171,2.9756;-1.5289,2.3995,.6462;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">41</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">41</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.22150631</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00113799</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">0.00036721</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">0.00113799</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00036721</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.03045673</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">0.00854459</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.083023"
                                 y3="-2.449712"
                                 z3="2.563683"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.632347"
                                 y3="-1.758172"
                                 z3="3.038027"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.087952"
                                 y3="2.262325"
                                 z3="-2.52135"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.370571"
                                 y3="0.974206"
                                 z3="-3.646612"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.655803"
                                 y3="0.797128"
                                 z3="-3.445189"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.811076"
                                 y3="1.921067"
                                 z3="-0.472594"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.574294"
                                 y3="0.57624"
                                 z3="-1.237325"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.451383"
                                 y3="-2.437675"
                                 z3="-0.958952"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.962458"
                                 y3="0.503651"
                                 z3="-1.886589"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.72448"
                                 y3="-1.401138"
                                 z3="-2.003977"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.300031"
                                 y3="0.050171"
                                 z3="2.706692"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.031547"
                                 y3="-2.469012"
                                 z3="-1.948497"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.361975"
                                 y3="-0.23398"
                                 z3="1.585789"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.480228"
                                 y3="-0.302351"
                                 z3="-0.174244"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.596436"
                                 y3="1.12619"
                                 z3="-0.585576"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.086102"
                                 y3="1.781956"
                                 z3="1.277043"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.380866"
                                 y3="0.574006"
                                 z3="0.496505"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.215901"
                                 y3="-3.98251"
                                 z3="-1.197265"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.211462"
                                 y3="0.860986"
                                 z3="-0.748172"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.491933"
                                 y3="1.397268"
                                 z3="1.352428"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.806403"
                                 y3="2.839328"
                                 z3="-1.870308"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.285709"
                                 y3="3.652739"
                                 z3="-3.498152"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.667852"
                                 y3="1.934059"
                                 z3="-1.76928"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.306441"
                                 y3="-1.71999"
                                 z3="3.557616"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.825097"
                                 y3="0.949934"
                                 z3="4.109819"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.771591"
                                 y3="-2.718907"
                                 z3="0.819996"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="4.057062"
                                 y3="3.099774"
                                 z3="-0.243494"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.05798"
                                 y3="-4.079279"
                                 z3="3.154337"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.978984"
                                 y3="-0.338514"
                                 z3="2.945106"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.528495"
                                 y3="2.40291"
                                 z3="0.656636"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.083,-2.4497,2.5637;1.6323,-1.7582,3.038;.088,2.2623,-2.5213;.3706,.9742,-3.6466;-3.6558,.7971,-3.4452;2.8111,1.9211,-.4726;3.5743,.5762,-1.2373;-1.4514,-2.4377,-.959;-2.9625,.5037,-1.8866;-2.7245,-1.4011,-2.004;2.3,.0502,2.7067;-.0315,-2.469,-1.9485;.362,-.234,1.5858;-1.4802,-.3024,-.1742;.5964,1.1262,-.5856;-1.0861,1.782,1.277;-.3809,.574,.4965;-2.2159,-3.9825,-1.1973;-4.2115,.861,-.7482;2.4919,1.3973,1.3524;1.8064,2.8393,-1.8703;-.2857,3.6527,-3.4982;-1.6679,1.9341,-1.7693;-1.3064,-1.72,3.5576;1.8251,.9499,4.1098;-.7716,-2.7189,.82;4.0571,3.0998,-.2435;.058,-4.0793,3.1543;3.979,-.3385,2.9451;-1.5285,2.4029,.6566;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">42</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">42</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.22146466</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00093376</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">0.00030853</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">0.00093376</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00030853</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.02259371</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">0.00682512</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:threshold">0.00666667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:valid">F</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="coordinates">
                     <scalar dataType="xsd:string" dictRef="cc:label">Cartesian</scalar>
                     <molecule id="geometry.cycle">
                        <atomArray>
                           <atom elementType="W"
                                 id="a1"
                                 x3="-0.073123"
                                 y3="-2.451806"
                                 z3="2.557628"/>
                           <atom elementType="O"
                                 id="a2"
                                 x3="1.641057"
                                 y3="-1.755845"
                                 z3="3.034318"/>
                           <atom elementType="W"
                                 id="a3"
                                 x3="0.090179"
                                 y3="2.261231"
                                 z3="-2.520368"/>
                           <atom elementType="O"
                                 id="a4"
                                 x3="0.372743"
                                 y3="0.972544"
                                 z3="-3.644999"/>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.659367"
                                 y3="0.803822"
                                 z3="-3.44419"/>
                           <atom elementType="Mo"
                                 id="a6"
                                 x3="2.812972"
                                 y3="1.918994"
                                 z3="-0.4713"/>
                           <atom elementType="O"
                                 id="a7"
                                 x3="3.570696"
                                 y3="0.571217"
                                 z3="-1.236361"/>
                           <atom elementType="W"
                                 id="a8"
                                 x3="-1.456947"
                                 y3="-2.436703"
                                 z3="-0.959719"/>
                           <atom elementType="Mo"
                                 id="a9"
                                 x3="-2.963649"
                                 y3="0.506625"
                                 z3="-1.887405"/>
                           <atom elementType="O"
                                 id="a10"
                                 x3="-2.728015"
                                 y3="-1.397667"
                                 z3="-2.005611"/>
                           <atom elementType="W"
                                 id="a11"
                                 x3="2.299222"
                                 y3="0.056329"
                                 z3="2.712727"/>
                           <atom elementType="O"
                                 id="a12"
                                 x3="-0.045869"
                                 y3="-2.484682"
                                 z3="-1.96104"/>
                           <atom elementType="O"
                                 id="a13"
                                 x3="0.359383"
                                 y3="-0.23243"
                                 z3="1.589226"/>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.479558"
                                 y3="-0.30508"
                                 z3="-0.175726"/>
                           <atom elementType="O"
                                 id="a15"
                                 x3="0.597239"
                                 y3="1.122809"
                                 z3="-0.584826"/>
                           <atom elementType="O"
                                 id="a16"
                                 x3="-1.089864"
                                 y3="1.781432"
                                 z3="1.27305"/>
                           <atom elementType="P"
                                 id="a17"
                                 x3="-0.381645"
                                 y3="0.572437"
                                 z3="0.496906"/>
                           <atom elementType="O"
                                 id="a18"
                                 x3="-2.236242"
                                 y3="-3.976419"
                                 z3="-1.18256"/>
                           <atom elementType="O"
                                 id="a19"
                                 x3="-4.210056"
                                 y3="0.863991"
                                 z3="-0.746104"/>
                           <atom elementType="O"
                                 id="a20"
                                 x3="2.493119"
                                 y3="1.398141"
                                 z3="1.354097"/>
                           <atom elementType="O"
                                 id="a21"
                                 x3="1.808316"
                                 y3="2.838405"
                                 z3="-1.867647"/>
                           <atom elementType="O"
                                 id="a22"
                                 x3="-0.281766"
                                 y3="3.65127"
                                 z3="-3.498169"/>
                           <atom elementType="O"
                                 id="a23"
                                 x3="-1.665941"
                                 y3="1.93444"
                                 z3="-1.769399"/>
                           <atom elementType="O"
                                 id="a24"
                                 x3="-1.299447"
                                 y3="-1.732298"
                                 z3="3.555372"/>
                           <atom elementType="O"
                                 id="a25"
                                 x3="1.806253"
                                 y3="0.955742"
                                 z3="4.109841"/>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-0.760333"
                                 y3="-2.71748"
                                 z3="0.813589"/>
                           <atom elementType="O"
                                 id="a27"
                                 x3="4.063365"
                                 y3="3.093493"
                                 z3="-0.244474"/>
                           <atom elementType="O"
                                 id="a28"
                                 x3="0.076001"
                                 y3="-4.083115"
                                 z3="3.141531"/>
                           <atom elementType="O"
                                 id="a29"
                                 x3="3.97876"
                                 y3="-0.319017"
                                 z3="2.967699"/>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.528683"
                                 y3="2.40232"
                                 z3="0.650014"/>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a26" order="S"/>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a28" order="S"/>
                           <bond atomRefs2="a2 a11" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a3 a21" order="S"/>
                           <bond atomRefs2="a3 a23" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a27" order="S"/>
                           <bond atomRefs2="a6 a20" order="S"/>
                           <bond atomRefs2="a6 a21" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a14" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a26" order="S"/>
                           <bond atomRefs2="a9 a19" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a20" order="S"/>
                           <bond atomRefs2="a13 a17" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a30" order="S"/>
                        </bondArray>
                        <formula concise="HMo2O22PW4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">1310.200560999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.0731,-2.4518,2.5576;1.6411,-1.7558,3.0343;.0902,2.2612,-2.5204;.3727,.9725,-3.645;-3.6594,.8038,-3.4442;2.813,1.919,-.4713;3.5707,.5712,-1.2364;-1.4569,-2.4367,-.9597;-2.9636,.5066,-1.8874;-2.728,-1.3977,-2.0056;2.2992,.0563,2.7127;-.0459,-2.4847,-1.961;.3594,-.2324,1.5892;-1.4796,-.3051,-.1757;.5972,1.1228,-.5848;-1.0899,1.7814,1.2731;-.3816,.5724,.4969;-2.2362,-3.9764,-1.1826;-4.2101,.864,-.7461;2.4931,1.3981,1.3541;1.8083,2.8384,-1.8676;-.2818,3.6513,-3.4982;-1.6659,1.9344,-1.7694;-1.2994,-1.7323,3.5554;1.8063,.9557,4.1098;-.7603,-2.7175,.8136;4.0634,3.0935,-.2445;.076,-4.0831,3.1415;3.9788,-.319,2.9677;-1.5287,2.4023,.65;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</scalar>
                        </formula>
                     </molecule>
                  </module>
               </module>
               <module cmlx:templateRef="geometry.cycle">
                  <scalar dataType="xsd:integer" dictRef="cc:cycleNumber">43</scalar>
                  <module cmlx:templateRef="convergence">
                     <list cmlx:templateRef="step">
                        <scalar dataType="xsd:integer" dictRef="a:nstep">43</scalar>
                        <scalar dataType="xsd:string" dictRef="x:converged">CONVERGED</scalar>
                     </list>
                     <list cmlx:templateRef="energy">
                        <scalar dataType="xsd:double" dictRef="cc:energy">-9.22147226</scalar>
                     </list>
                     <list cmlx:templateRef="cgradmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00082956</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">0.00026678</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">0.00082956</scalar>
                     </list>
                     <list cmlx:templateRef="gradrms">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00026678</scalar>
                     </list>
                     <list cmlx:templateRef="cstepmax">
                        <scalar dataType="xsd:double" dictRef="cc:current">0.00826744</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">0.00322294</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">-2</scalar>
                     </module>
                  </module>
                  <module cmlx:templateRef="adf.frequencyanalysis">
                     <module cmlx:templateRef="masses">
                        <array dataType="xsd:string" dictRef="cc:elementType" size="30">W O W O O Mo O W Mo O W O O O O O P O O O O O O O O O O O O H</array>
                        <array dataType="xsd:double" dictRef="cc:atomicmass" size="30">183.95093200 15.99491400 183.95093200 15.99491400 15.99491400 97.90540600 15.99491400 183.95093200 97.90540600 15.99491400 183.95093200 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 30.97376100 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 15.99491400 1.00782500</array>
                     </module>
                     <module cmlx:templateRef="thermochemistry">
                        <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.000000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.150000</scalar>
                        <array dataType="xsd:double" dictRef="cc:moi" size="3">27019.5823 34215.3863 53584.5659</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">47.399</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:rotat"
                                      units="nonsi2:cal.mol-1.K-1">39.135</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:vibrat"
                                      units="nonsi2:cal.mol-1.K-1">117.586</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:total"
                                      units="nonsi2:cal.mol-1.K-1">204.120</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">71.985</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi2:kcal.mol-1">73.762</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">104.960</scalar>
                              <scalar dataType="xsd:double"
                                      dictRef="cc:total"
                                      units="nonsi2:cal.mol-1.K-1">110.922</scalar>
                           </list>
                        </module>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:cputime">
                  <scalar dataType="xsd:double">12572.43</scalar>
               </property>
               <property dictRef="cc:systemtime">
                  <scalar dataType="xsd:double">358.58</scalar>
               </property>
               <property dictRef="cc:elapsedtime">
                  <scalar dataType="xsd:double">13317.87</scalar>
               </property>
               <property dictRef="cc:zeropoint">
                  <scalar dataType="xsd:double"
                          dictRef="cc:zeropoint"
                          units="nonsi:electronvolt">2.337534</scalar>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
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                     <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.150000</scalar>
                     <array dataType="xsd:double" dictRef="cc:moi" size="3">27019.5823 34215.3863 53584.5659</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">47.399</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:rotat"
                                   units="nonsi2:cal.mol-1.K-1">39.135</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:vibrat"
                                   units="nonsi2:cal.mol-1.K-1">134.327</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:total"
                                   units="nonsi2:cal.mol-1.K-1">220.861</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">73.769</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi2:kcal.mol-1">75.546</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">110.900</scalar>
                           <scalar dataType="xsd:double"
                                   dictRef="cc:total"
                                   units="nonsi2:cal.mol-1.K-1">116.862</scalar>
                        </list>
                     </module>
                  </module>
               </property>
            </propertyList>
            <molecule id="finalization.0">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="-0.073123"
                        y3="-2.451806"
                        z3="2.557628"/>
                  <atom elementType="O"
                        id="a2"
                        x3="1.641057"
                        y3="-1.755845"
                        z3="3.034318"/>
                  <atom elementType="W"
                        id="a3"
                        x3="0.090179"
                        y3="2.261231"
                        z3="-2.520368"/>
                  <atom elementType="O"
                        id="a4"
                        x3="0.372743"
                        y3="0.972544"
                        z3="-3.644999"/>
                  <atom elementType="O"
                        id="a5"
                        x3="-3.659367"
                        y3="0.803822"
                        z3="-3.44419"/>
                  <atom elementType="Mo"
                        id="a6"
                        x3="2.812972"
                        y3="1.918994"
                        z3="-0.4713"/>
                  <atom elementType="O"
                        id="a7"
                        x3="3.570696"
                        y3="0.571217"
                        z3="-1.236361"/>
                  <atom elementType="W"
                        id="a8"
                        x3="-1.456947"
                        y3="-2.436703"
                        z3="-0.959719"/>
                  <atom elementType="Mo"
                        id="a9"
                        x3="-2.963649"
                        y3="0.506625"
                        z3="-1.887405"/>
                  <atom elementType="O"
                        id="a10"
                        x3="-2.728015"
                        y3="-1.397667"
                        z3="-2.005611"/>
                  <atom elementType="W"
                        id="a11"
                        x3="2.299222"
                        y3="0.056329"
                        z3="2.712727"/>
                  <atom elementType="O"
                        id="a12"
                        x3="-0.045869"
                        y3="-2.484682"
                        z3="-1.96104"/>
                  <atom elementType="O"
                        id="a13"
                        x3="0.359383"
                        y3="-0.23243"
                        z3="1.589226"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.479558"
                        y3="-0.30508"
                        z3="-0.175726"/>
                  <atom elementType="O"
                        id="a15"
                        x3="0.597239"
                        y3="1.122809"
                        z3="-0.584826"/>
                  <atom elementType="O"
                        id="a16"
                        x3="-1.089864"
                        y3="1.781432"
                        z3="1.27305"/>
                  <atom elementType="P"
                        id="a17"
                        x3="-0.381645"
                        y3="0.572437"
                        z3="0.496906"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-2.236242"
                        y3="-3.976419"
                        z3="-1.18256"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-4.210056"
                        y3="0.863991"
                        z3="-0.746104"/>
                  <atom elementType="O"
                        id="a20"
                        x3="2.493119"
                        y3="1.398141"
                        z3="1.354097"/>
                  <atom elementType="O"
                        id="a21"
                        x3="1.808316"
                        y3="2.838405"
                        z3="-1.867647"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.281766"
                        y3="3.65127"
                        z3="-3.498169"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-1.665941"
                        y3="1.93444"
                        z3="-1.769399"/>
                  <atom elementType="O"
                        id="a24"
                        x3="-1.299447"
                        y3="-1.732298"
                        z3="3.555372"/>
                  <atom elementType="O"
                        id="a25"
                        x3="1.806253"
                        y3="0.955742"
                        z3="4.109841"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.760333"
                        y3="-2.71748"
                        z3="0.813589"/>
                  <atom elementType="O"
                        id="a27"
                        x3="4.063365"
                        y3="3.093493"
                        z3="-0.244474"/>
                  <atom elementType="O"
                        id="a28"
                        x3="0.076001"
                        y3="-4.083115"
                        z3="3.141531"/>
                  <atom elementType="O"
                        id="a29"
                        x3="3.97876"
                        y3="-0.319017"
                        z3="2.967699"/>
                  <atom elementType="H"
                        id="a30"
                        x3="-1.528683"
                        y3="2.40232"
                        z3="0.650014"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a26" order="S"/>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a28" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a21" order="S"/>
                  <bond atomRefs2="a3 a23" order="S"/>
                  <bond atomRefs2="a3 a22" order="S"/>
                  <bond atomRefs2="a5 a9" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a6 a20" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a8 a14" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a26" order="S"/>
                  <bond atomRefs2="a9 a19" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a25" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a30" order="S"/>
               </bondArray>
               <formula concise="HMo2O22PW4"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1310.200560999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2Mo.HO4P.18O.4W/c;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;/h;;1H;;;;;;;;;;;;;;;;;;;;;;/q;;-3;;;;;;;;;;;;;;;;;;;;3*+1/rHMo2O22PW4/c3-1(4)16-27(10,11)17-2(5,6)19-29(14,15)22-25(7,20-27)21-28(12,13,18-1)23-26(8,9)24-29/h7H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6;9;16,13,14,15,17;2;4;5;7;10;12;18;19;20;21;22;23;24;25;26;27;28;29;1;3;8;11/E:;;(2,3,4);;;;;;;;;;;;;;;;;;;;;;/CRV:;;2-1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;/rA:30nWOWO1O1MoO1WMoOWO1OOOOP4O1O1OOO1OO1O1OO1O1O1H/rB:s1;;s3;;;s6;;s5;s8s9;s2;s8;s11;s8;s3;;s13s14s15s16;s8;s9;s6s11;s3s6;s3;s3s9;s1;s11;s1s8;s6;s1;s11;s16;/rC:-.0731,-2.4518,2.5576;1.6411,-1.7558,3.0343;.0902,2.2612,-2.5204;.3727,.9725,-3.645;-3.6594,.8038,-3.4442;2.813,1.919,-.4713;3.5707,.5712,-1.2364;-1.4569,-2.4367,-.9597;-2.9636,.5066,-1.8874;-2.728,-1.3977,-2.0056;2.2992,.0563,2.7127;-.0459,-2.4847,-1.961;.3594,-.2324,1.5892;-1.4796,-.3051,-.1757;.5972,1.1228,-.5848;-1.0899,1.7814,1.2731;-.3816,.5724,.4969;-2.2362,-3.9764,-1.1826;-4.2101,.864,-.7461;2.4931,1.3981,1.3541;1.8083,2.8384,-1.8676;-.2818,3.6513,-3.4982;-1.6659,1.9344,-1.7694;-1.2994,-1.7323,3.5554;1.8063,.9557,4.1098;-.7603,-2.7175,.8136;4.0634,3.0935,-.2445;.076,-4.0831,3.1415;3.9788,-.319,2.9677;-1.5287,2.4023,.65;/R:/0/N:6,9,7,27,5,19,16,24,28,4,22,25,29,12,18,21,23,20,10,15,13,14,2,26,17,1,3,11,8/E:(1,2)(3,4,5,6)(8,9)(10,11)(12,13,14,15)(16,17)(18,19)(21,22)(23,24)(28,29)/CRV:3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,25.4</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">135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="20">2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="20"
                            units="nonsi:electronvolt">-7.578 -7.516 -7.446 -7.400 -7.383 -7.341 -7.238 -7.195 -7.186 -7.086 -3.542 -3.455 -3.406 -3.311 -3.139 -3.055 -2.699 -2.665 -2.413 -2.272</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">0.00000000039959</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00028870706374</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00020766497066</scalar>
               </module>
               <module cmlx:templateRef="qtaim" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="atoms">
                     <array dataType="xsd:integer" dictRef="a:id" size="30">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</array>
                     <array dataType="xsd:integer" dictRef="cc:atomicNumber" size="30">74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 42 42 15 1</array>
                     <array dataType="xsd:double" dictRef="x:coords" size="90">-0.073123 -2.451806 2.557628 0.090179 2.261231 -2.520368 -1.456947 -2.436703 -0.959719 2.299222 0.056329 2.712727 1.641057 -1.755845 3.034317 0.372743 0.972544 -3.644998 -3.659367 0.803822 -3.444190 3.570695 0.571217 -1.236361 -2.728015 -1.397667 -2.005611 -0.045869 -2.484682 -1.961040 0.359383 -0.232430 1.589226 -1.479558 -0.305080 -0.175726 0.597239 1.122809 -0.584826 -1.089864 1.781432 1.273050 -2.236242 -3.976419 -1.182560 -4.210055 0.863991 -0.746104 2.493118 1.398141 1.354097 1.808315 2.838405 -1.867647 -0.281766 3.651270 -3.498169 -1.665940 1.934440 -1.769399 -1.299447 -1.732298 3.555372 1.806253 0.955742 4.109841 -0.760333 -2.717480 0.813588 4.063365 3.093492 -0.244474 0.076001 -4.083115 3.141530 3.978759 -0.319017 2.967699 2.812972 1.918994 -0.471300 -2.963649 0.506625 -1.887405 -0.381645 0.572437 0.496905 -1.528683 2.402320 0.650014</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">-0.073123</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.451806</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.557628</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361416E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">2</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.090179</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.261231</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.520368</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361416E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">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">-1.456947</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.436703</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.959719</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361416E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">4</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.299222</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.056329</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.712727</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4361416E+07</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">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">1.641057</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.755845</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.034317</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188992E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">6</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.372743</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.972544</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.644998</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193771E+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">-3.659367</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.803822</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.444190</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194768E+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">3.570695</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.571217</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.236361</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194986E+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">-2.728015</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.397667</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.005611</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189725E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">10</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.045869</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.484682</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.961040</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193798E+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">0.359383</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.232430</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.589226</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187309E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">12</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.479558</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.305080</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.175726</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187690E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">13</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.597239</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.122809</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.584826</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187714E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">14</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.089864</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.781432</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.273050</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3186883E+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">-2.236242</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.976419</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.182560</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193397E+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">-4.210055</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.863991</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.746104</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194924E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">17</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.493118</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.398141</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.354097</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188336E+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">1.808315</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.838405</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.867647</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3189826E+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">-0.281766</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.651270</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.498169</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193375E+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">-1.665940</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.934440</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.769399</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3188798E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">21</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.299447</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.732298</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.555372</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193451E+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">1.806253</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.955742</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">4.109841</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193667E+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">-0.760333</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.717480</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.813588</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3187376E+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">4.063365</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.093492</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.244474</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3194759E+03</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">25</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.076001</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-4.083115</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.141530</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193285E+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">3.978759</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.319017</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.967699</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3193352E+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">2.812972</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.918994</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.471300</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240649E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">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">-2.963649</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.506625</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.887405</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1240649E+06</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-3</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">29</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-3</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.381645</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.572437</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.496905</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2439554E+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">-1.528683</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.402320</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.650014</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4512904E+00</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">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.820697</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.496164</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.935924</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1414346E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1812310E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5864179E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1712497E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8908246E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5372140E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1343035E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1019182E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4924839E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5327330E-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">0.1997728E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2652422E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6546935E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5442428E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7897481E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5691830E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1392064E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1839413E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6891347E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4088770E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">32</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-2.265965</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.247145</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.831121</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1344225E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2745874E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2572134E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9378349E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2107503E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5430003E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1357501E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9574574E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4476444E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1698912E-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">0.1917796E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2478092E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5602957E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5085665E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7453917E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5669133E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1400477E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1831368E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6822809E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4048002E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">33</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.024186</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.101216</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.800453</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1521764E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1703285E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4360526E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2371692E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1629353E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6357878E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1589469E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3909701E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1012854E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1762080E+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">0.1327963E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1066456E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2615065E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2785148E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6100721E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3408932E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9676821E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7591018E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4565277E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3522781E+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">+1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.218555</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.884312</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.839069</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1280532E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3200234E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1674990E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2517542E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1047804E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5833168E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1458292E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2825276E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8279923E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1492655E+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">0.1173437E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8885823E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2848549E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2212615E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4968721E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2988496E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8849104E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6646612E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4453088E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3377174E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</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">-0.673928</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.068098</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.787281</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1867488E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2869031E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1802617E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2095220E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7693912E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5189309E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1297327E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1584782E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8102145E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8519102E-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">0.2616740E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3936154E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1319413E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7883677E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1083617E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6046879E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1532104E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2183683E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7275334E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3946780E+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">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.841864</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.074806</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.123666</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1413673E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3457042E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3221978E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5587029E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1121539E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5728686E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1432171E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1087228E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4614660E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7516187E-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">0.2056278E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2680385E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6241070E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5438974E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7893207E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6069994E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1486598E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1964599E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6890702E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4083144E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">37</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.429711</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.261459</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.783656</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3299191E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1988269E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1423706E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1356465E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2937272E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1772958E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4432395E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6328152E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6122476E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1041541E-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">0.1567942E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7568279E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6000337E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1683688E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2087719E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1790287E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6124167E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1474359E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8064725E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2923315E+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">0.325720</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.668497</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.504061</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5777267E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5168002E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3838330E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2075497E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3454328E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2362934E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5907336E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1455081E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2517864E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1449051E-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">0.6417202E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6927068E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5098661E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1649485E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2848820E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2016463E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7015407E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7677870E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5790065E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2874335E+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">-0.110855</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">3.014074</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.048940</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2423477E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6214268E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3557403E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3490155E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3712254E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8997825E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2249456E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3199436E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7214517E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2324076E-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">0.4204428E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6159399E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1954971E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1115930E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1460156E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1088820E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1962866E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2711245E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7642542E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5547093E+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">0.834275</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.063360</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.803087</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1541387E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1858891E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5661235E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1751534E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2590507E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5983574E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1495894E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1266549E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5103152E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4087184E-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">0.2269558E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3043222E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7736642E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6103803E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8708973E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6482154E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1531371E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2051790E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7008638E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4232910E+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">2.033805</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.544269</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.471932</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2470506E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1399862E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9660241E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8830827E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4965646E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8704270E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2176068E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3210650E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7700590E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1006277E-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">0.4243546E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6311024E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2067478E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1144897E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1492786E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1060827E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1927332E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2681655E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7669529E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5504124E+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">1.411158</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.908784</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.048218</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3170428E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1477493E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9956412E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6211987E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1089874E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1340368E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3350920E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2285563E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1632747E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2932146E+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">0.3145814E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2940708E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2051057E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7410979E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1431846E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8770879E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2067690E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1932885E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5175820E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4241873E+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">1.662749</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.505800</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.501669</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4765899E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2771049E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2608379E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9354462E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3331619E-18</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1997540E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4993851E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9788680E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2161187E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3403532E-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">0.5128008E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5262166E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1341576E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1276179E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2285886E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1638386E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6201446E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6463684E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5582863E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2641942E+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">3.481244</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.548316</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.350007</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2315043E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1190548E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8614913E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8057693E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1611592E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8456082E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2114020E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2863929E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7112828E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2300990E-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">0.3915458E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5716895E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1801437E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1049858E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1385380E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1012125E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1888113E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2611790E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7578117E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5360512E+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">-0.438452</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.582708</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.625172</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1543252E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3398454E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1352813E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7716470E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3020587E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6620864E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1655216E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1394423E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4621254E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3900666E-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">0.2378340E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3101464E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7231237E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6113654E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8720961E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7165991E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1678449E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2245556E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7010298E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4269412E+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">-0.691702</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.464975</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.504143</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2485073E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4823761E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4329219E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1232535E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1734181E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8766179E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2191545E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3258063E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7721496E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9414494E-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">0.4281364E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6371183E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2089819E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1153906E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1502918E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1070099E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1939089E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2699161E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7677774E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5518569E+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">-0.572297</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.205147</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.777162</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1088127E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1214103E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5187447E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1039426E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3529055E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5024556E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1256139E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1900448E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7327930E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1383449E+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">0.9908409E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7255429E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2652980E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1780838E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4081739E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2453117E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7343624E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5309406E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4362940E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3340471E+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">-0.738227</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.062801</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">3.099767</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2446516E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1977775E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8977194E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1702740E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4542807E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8704371E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2176093E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3172488E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7576275E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4925377E-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">0.4198508E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6220923E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2022415E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1130097E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1476125E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1058100E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1932321E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2687453E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7655833E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5475800E+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">0.137528</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.302542</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.039757</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3908785E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1013034E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1653133E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8713386E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4895702E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1588468E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3971169E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5768740E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1953010E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9345250E-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">0.3940068E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3908967E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3110092E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9797324E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1821224E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1230019E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4748700E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4690163E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5379526E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2590223E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">50</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.013142</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.799877</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.059489</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2011006E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1304005E-11</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7903206E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4366562E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9408258E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7075187E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1768797E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2232193E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6723018E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4280127E-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">0.3161140E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4553483E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1392343E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8701677E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1179170E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8307356E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1895642E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2688024E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7379491E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4382343E+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">0.243860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.563565</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-3.132342</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2467023E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1720064E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2585009E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1238853E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1164921E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8763405E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2190851E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3229100E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7630663E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6389537E-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">0.4246842E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6302832E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2055991E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1142745E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1490365E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1067749E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1943190E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2704480E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7667549E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5494827E+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">-2.173607</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.550390</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.165083</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3094985E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4716652E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2937319E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8856749E-17</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3582533E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1292235E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3230586E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2069559E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1626932E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2685318E+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">0.3029715E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2828843E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2008716E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7176781E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1392705E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8349710E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1903277E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1770205E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5153125E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4387019E+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">3.208389</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.148152</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.850065</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2424100E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7095574E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6887472E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1222282E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1189925E-12</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8982629E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2245657E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3201573E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7229819E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2495225E-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">0.4203054E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6160451E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1957397E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1116313E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1460587E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1087399E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1965545E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2717738E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7642904E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5532301E+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">2.398245</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.758542</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">1.976154</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1460100E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9169679E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8202877E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3089624E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2692589E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6102426E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1525607E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1204361E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4571740E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1182522E-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">0.2179517E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2833428E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6539107E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5678433E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8188587E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6517561E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1571795E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2087314E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6934570E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4146571E+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">0.705291</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.193953</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.271105</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3061357E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4329891E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1870359E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1135194E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4174244E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1263773E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3159432E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1995479E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1633556E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2743316E+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">0.2966473E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2773514E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1929592E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7073000E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1375299E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8142774E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1864099E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1729570E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5142882E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4368209E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,+1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">56</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.880077</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.269751</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.080185</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2422507E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6328725E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5361434E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1097148E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3178688E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8981162E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2245291E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3195543E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7223078E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2608129E-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">0.4199845E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6154400E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1954555E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1115334E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1459484E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1086878E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1962819E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2712663E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7641980E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5537329E+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">-2.129377</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.865944</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.498572</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1407551E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2769332E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1223414E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2324855E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8760760E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5480019E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1370005E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1043669E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4789293E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4737738E-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">0.2006896E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2643786E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6368907E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5407593E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7854360E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5810187E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1441076E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1906840E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6884829E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4031839E+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">-1.439199</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-1.326532</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.544279</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6151968E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2943325E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8386256E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2721613E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1117564E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2542480E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6356201E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1710577E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2598438E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1594918E-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">0.6990166E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7624131E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6339652E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1793648E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3060892E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2206476E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7575654E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8425474E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5859886E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2912588E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">59</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">1.291091</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.069931</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.111183</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6277565E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3355753E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3328086E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3096418E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2984089E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2628720E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6571800E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1821184E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2599287E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2039317E-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">0.7228198E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7884597E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6563985E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1842638E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3132367E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2294193E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7850240E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8776316E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5882573E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2922449E+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">-3.335706</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.665409</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.720369</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2312036E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4074674E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3683577E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6730185E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4001790E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8469675E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2117419E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2858653E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7086046E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1957468E-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">0.3912300E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5707181E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1794881E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1048040E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1383316E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1013107E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1886474E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2607104E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7576286E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5370377E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">61</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.076820</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.249678</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.940450</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2066492E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1260364E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4241778E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8195023E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8584905E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7581060E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1895265E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2507219E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6565576E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3003144E-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">0.3337428E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4779590E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1442163E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9023258E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1216422E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8985331E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2058640E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2941887E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7417871E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4364693E+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">1.929558</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-0.899721</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.870318</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1376994E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3737580E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6652258E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3595214E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7755095E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5376513E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1344128E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9974467E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4706150E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4194964E-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">0.1950364E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2556599E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6062354E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5251633E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7660809E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5670360E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1421629E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1874728E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6855194E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3988636E+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">3.220597</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.197236</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.881657</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2352254E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6647627E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3036959E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5138565E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2926256E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8264475E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2066119E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2896264E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7473743E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4326966E-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">0.3951019E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5835920E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1884901E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1072418E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1410968E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9956574E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1878718E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2618581E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7600580E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5299665E+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">-3.633240</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.698058</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.276661</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2341539E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2843840E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2088390E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5104830E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1861575E-14</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8115634E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2028909E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2824871E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7553119E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2953072E-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">0.3906704E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5784499E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1877795E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1065909E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1403592E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9763671E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1843740E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2567748E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7594150E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5295578E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">65</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-1.089536</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-2.572388</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-0.012560</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1419040E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3240953E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1719097E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2151489E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1708678E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6111717E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1527929E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1174664E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4352856E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6028058E-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">0.2127096E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2726262E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5991663E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5466524E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7927285E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6491962E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1602630E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2122967E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6895834E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4050817E+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">-2.177856</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.109949</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.006975</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4331416E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1441200E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1032830E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4114134E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.9170932E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1785714E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4464286E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7611032E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2061505E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5243567E-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">0.4510048E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4555811E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4576243E-03</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1123462E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2048782E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1426496E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5478704E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5564973E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5483558E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2603711E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">67</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">0.006915</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">-3.334506</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">2.874792</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2427704E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2505535E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1637678E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1595696E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1024436E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8874862E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2218716E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3169502E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7335748E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1785340E-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">0.4191800E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6164885E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1973085E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1118526E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1463083E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1074806E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1941736E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2685216E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7644991E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5535285E+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">1.003154</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.553118</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-2.157946</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1493763E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1464315E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8565197E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2231424E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1166534E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5682640E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1420660E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1162155E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5099558E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4637397E-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">0.2154563E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2888466E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7339030E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5853658E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8403600E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6112718E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1472490E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1965727E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6965655E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4151279E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">69</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.640143</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">1.632484</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.487489</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1352542E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7828013E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1819088E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3798096E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.6598725E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5656717E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1414179E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1009240E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4341435E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3679313E-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">0.1966047E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2517915E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5518680E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5127661E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7506361E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5919701E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1465730E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1920314E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6831089E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4038740E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">70</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">-0.823284</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">0.214275</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">0.222716</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2016717E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1823476E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1539296E-15</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2735249E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.9385180E-16</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7096525E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1774131E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2255077E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6734557E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2315138E-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">0.3174086E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4574040E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1399954E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8734640E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1182996E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.8344013E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1910176E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2712690E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.7383488E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4368190E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <module cmlx:templateRef="point">
                     <scalar dataType="xsd:integer" dictRef="a:id">71</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:rank">3</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:signature">-1</scalar>
                     <list cmlx:templateRef="coords">
                        <scalar dataType="xsd:double" dictRef="cc:x3">2.265328</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:y3">2.388797</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:z3">-1.202944</scalar>
                     </list>
                     <module cmlx:templateRef="functions">
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Rho</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1323641E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">|GRAD(Rho)|</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.3065993E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)x</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1983423E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)y</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1163226E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">GRAD(Rho)z</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.2028115E-13</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Laplacian</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.5018321E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">(-1/4)Del**2(Rho))</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1254580E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Diamond</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.8817724E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Metallicity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4720688E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ellipticity</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.4380345E-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">0.1823467E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Vb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.2392354E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Hb(Abramov)</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5688869E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ex_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.4982097E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Ec_ueg</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.7324314E-02</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ex</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.5235241E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_ec</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.1326785E-01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Delta_et</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.1736183E+00</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Pxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">0.6802135E+01</scalar>
                        </list>
                        <list>
                           <scalar dataType="xsd:string" dictRef="cc:parameter">Qxc</scalar>
                           <scalar dataType="xsd:double" dictRef="cc:value">-0.3945808E+01</scalar>
                        </list>
                     </module>
                     <scalar dictRef="a:ranksignature">3,-1</scalar>
                  </module>
                  <list cmlx:templateRef="bondPaths">
                     <array dataType="xsd:integer" dictRef="a:bondPath" size="35">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</array>
                     <array dataType="xsd:integer" dictRef="a:cp" size="35">40 49 48 45 67 62 51 38 68 39 36 60 63 43 69 71 44 57 46 58 56 65 31 66 64 32 59 54 41 53 61 70 50 35 37</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx1" size="35">1 1 1 1 1 2 3 3 3 3 3 5 6 6 6 6 6 8 8 8 8 8 9 9 9 9 11 11 11 11 13 14 15 16 16</array>
                     <array dataType="xsd:integer" dictRef="x:atomInx2" size="35">2 13 24 26 28 11 4 15 21 22 23 9 7 15 20 21 27 10 12 14 18 26 10 14 19 23 13 20 25 29 17 17 17 17 30</array>
                     <array dataType="xsd:double" dictRef="a:distance" size="35">1.910499 2.459775 1.736967 1.893281 1.739065 1.954630 1.733595 2.302050 1.926439 1.739726 1.937705 1.730875 1.725099 2.357174 1.925012 1.950496 1.730428 1.946562 1.730921 2.271337 1.740024 1.925805 1.922452 2.406498 1.727370 1.933036 2.260224 1.919356 1.733173 1.739753 1.545994 1.558167 1.559252 1.601763 0.982974</array>
                     <array dataType="xsd:double" dictRef="a:length" size="35">1.911099 2.460694 1.737032 1.893470 1.739095 1.955468 1.733682 2.303447 1.927093 1.739737 1.937983 1.730893 1.725169 2.358824 1.925342 1.951337 1.730443 1.947430 1.731023 2.272751 1.740035 1.926088 1.923203 2.408198 1.727467 1.933570 2.261571 1.919807 1.733274 1.739759 1.546075 1.558251 1.559337 1.602801 0.983375</array>
                     <array dataType="xsd:double" dictRef="a:steps" size="35">23 29 21 23 21 23 21 27 23 26 23 21 21 27 23 23 21 23 23 27 21 23 23 27 23 23 27 23 24 20 21 21 22 21 17</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="30">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="30">W O W O O Mo O W Mo O W O O O O O P O O O O O O O O O O O O H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="30">2.4323 -1.0052 2.4104 -0.7579 -0.6932 2.2628 -0.6937 2.4130 2.2134 -0.9704 2.3980 -0.7485 -1.0179 -1.0092 -1.0068 -0.6903 2.1813 -0.7690 -0.6956 -0.9915 -0.9732 -0.7746 -1.0265 -0.7799 -0.7613 -1.0174 -0.6957 -0.7805 -0.7706 0.3176</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="30">2.0959 1.9400 2.1105 1.9735 1.9798 1.9909 1.9829 2.1120 1.9894 1.9431 2.1146 1.9722 1.8919 1.8927 1.8908 1.8681 2.5451 1.9682 1.9832 1.9317 1.9441 1.9685 1.9383 1.9701 1.9707 1.9251 1.9803 1.9675 1.9676 0.5827</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="30">6.0978 5.0310 6.1045 4.7466 4.6798 6.0997 4.6757 6.0998 6.1213 4.9951 6.1037 4.7383 5.0887 5.0783 5.0784 4.7792 7.4561 4.7648 4.6779 5.0313 4.9973 4.7701 5.0570 4.7733 4.7533 5.0632 4.6818 4.7768 4.7670 0.0997</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="30">3.3473 0.0342 3.3481 0.0378 0.0336 3.6466 0.0350 3.3484 3.6758 0.0322 3.3569 0.0380 0.0374 0.0382 0.0376 0.0430 0.8175 0.0360 0.0344 0.0285 0.0319 0.0361 0.0312 0.0365 0.0373 0.0291 0.0336 0.0361 0.0360 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="30">14.0267 0.0000 14.0265 0.0000 0.0000 0.0000 0.0000 14.0268 0.0000 0.0000 14.0267 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="30">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="30">W O W O O Mo O W Mo O W O O O O O P O O O O O O O O O O O O H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="30">2.450522 -0.945436 2.436848 -0.799920 -0.976227 3.117636 -0.969693 2.460958 3.098233 -1.075583 2.452939 -0.789518 -0.987775 -1.037653 -1.046533 -0.518478 2.041825 -0.807505 -0.968172 -1.107003 -1.065427 -0.810374 -1.097910 -0.814375 -0.794948 -0.970944 -0.971269 -0.817073 -0.812912 0.125767</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="30">1.942011 -0.750839 1.933648 -0.686315 -0.749948 2.332044 -0.722069 1.953984 2.305352 -0.857935 1.951737 -0.679638 -0.754800 -0.835235 -0.859143 -0.639133 1.580472 -0.687554 -0.718924 -0.849931 -0.845009 -0.688721 -0.829827 -0.699670 -0.671763 -0.709544 -0.744980 -0.704688 -0.700257 0.386676</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="30">2.088511 -0.837535 2.055510 -0.716517 -0.753458 2.430220 -0.727061 2.108482 2.431324 -0.950182 2.105377 -0.680480 -0.827773 -0.866708 -0.937562 -0.641486 1.688845 -0.690530 -0.741293 -0.970794 -0.905866 -0.686995 -0.958479 -0.717142 -0.678272 -0.859614 -0.737304 -0.711775 -0.721118 0.409673</array>
                  </list>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">-3.52618965 4.74320860 0.99064782</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">5.99278102</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">3.12934480 -25.44627128 -33.11774082 21.62344667 33.13123518 -24.75279147</array>
               </module>
               <module cmlx:templateRef="bonding.energy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-207.2705</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">224.9676</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">-55.0411</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-207.5141</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-6.0709</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-250.9290</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:08  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:08  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:09  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Phosphorus (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:10  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:10  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">Mar27-2024 17:21:11  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:12  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Oxygen (TZP, 1s frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:12  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:13  Nodes: 1  Procs: 1</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">Tungsten (TZP, 4d frozen)</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:runDate">Mar27-2024 17:21:15  Nodes: 1  Procs: 24</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:title">*** (NO TITLE) ***</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-2</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.21965072</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22029404</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22054883</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22065011</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22078515</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22089100</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22106496</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22112357</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22120040</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22125147</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22135250</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22137136</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22146401</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22148611</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22134782</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22122107</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22131613</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22054362</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22093811</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22111642</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22124951</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22123124</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22124162</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22121572</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22126877</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22130840</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22136895</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22137373</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22141527</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22150321</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22140506</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22135717</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22130562</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22133274</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22141178</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22142998</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22143896</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22143301</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22142139</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22145748</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22150631</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22146466</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-9.22147226</scalar>
                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
